U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H14N4O5.C6H3N3O7
Molecular Weight 463.3138
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(DIAMINOMETHYLENE)-3-(.BETA.-D-RIBOFURANOSYL)UREA PICRATE

SMILES

NC(=N)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.OC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=RTONSOUBEUPEOS-QLRMNKGWSA-N
InChI=1S/C7H14N4O5.C6H3N3O7/c8-6(9)11-7(15)10-5-4(14)3(13)2(1-12)16-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5,12-14H,1H2,(H5,8,9,10,11,15);1-2,10H/t2-,3-,4-,5-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-232826
Preferred Name English
1-(DIAMINOMETHYLENE)-3-(.BETA.-D-RIBOFURANOSYL)UREA PICRATE
Systematic Name English
UREA, 1-AMIDINO-3-.BETA.-D-RIBOFURANOSYL-, MONOPICRATE
Common Name English
1-.BETA.-D-RIBOFURANOSYL-3-GUANYLUREA PICRATE
Common Name English
UREA, 1-(DIAMINOMETHYLENE)-3-.BETA.-D-RIBOFURANOSYL-, PICRATE
Common Name English
UREA, N-(AMINOIMINOMETHYL)-N'-.BETA.-D-RIBOFURANOSYL-, COMPD. WITH 2,4,6-TRINITROPHENOL (1:1)
Systematic Name English
Code System Code Type Description
CAS
65126-89-8
Created by admin on Mon Mar 31 23:28:18 GMT 2025 , Edited by admin on Mon Mar 31 23:28:18 GMT 2025
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
86222880
Created by admin on Mon Mar 31 23:28:18 GMT 2025 , Edited by admin on Mon Mar 31 23:28:18 GMT 2025
PRIMARY
NSC
232826
Created by admin on Mon Mar 31 23:28:18 GMT 2025 , Edited by admin on Mon Mar 31 23:28:18 GMT 2025
PRIMARY
RS_ITEM_NUM
1045574
Created by admin on Mon Mar 31 23:28:18 GMT 2025 , Edited by admin on Mon Mar 31 23:28:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID30310846
Created by admin on Mon Mar 31 23:28:18 GMT 2025 , Edited by admin on Mon Mar 31 23:28:18 GMT 2025
PRIMARY
CAS
4336-46-3
Created by admin on Mon Mar 31 23:28:18 GMT 2025 , Edited by admin on Mon Mar 31 23:28:18 GMT 2025
PRIMARY
FDA UNII
N5RTE43JBR
Created by admin on Mon Mar 31 23:28:18 GMT 2025 , Edited by admin on Mon Mar 31 23:28:18 GMT 2025
PRIMARY