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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N4O2
Molecular Weight 222.2438
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-ISOPROPYLTHEOPHYLLINE

SMILES

CC(C)C1=NC2=C(N1)C(=O)N(C)C(=O)N2C

InChI

InChIKey=NKNVOKGUNUZJFC-UHFFFAOYSA-N
InChI=1S/C10H14N4O2/c1-5(2)7-11-6-8(12-7)13(3)10(16)14(4)9(6)15/h5H,1-4H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
8-ISOPROPYLTHEOPHYLLINE
Systematic Name English
THEOPHYLLINE, 8-ISOPROPYL-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-8-(1-METHYLETHYL)-
Systematic Name English
NSC-14303
Code English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-8-(1-METHYLETHYL)-
Systematic Name English
3,9-DIHYDRO-1,3-DIMETHYL-8-(1-METHYLETHYL)-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
76103
Created by admin on Sat Dec 16 12:54:42 GMT 2023 , Edited by admin on Sat Dec 16 12:54:42 GMT 2023
PRIMARY
NSC
14303
Created by admin on Sat Dec 16 12:54:42 GMT 2023 , Edited by admin on Sat Dec 16 12:54:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID30182722
Created by admin on Sat Dec 16 12:54:42 GMT 2023 , Edited by admin on Sat Dec 16 12:54:42 GMT 2023
PRIMARY
FDA UNII
3M1LJZ3U2S
Created by admin on Sat Dec 16 12:54:42 GMT 2023 , Edited by admin on Sat Dec 16 12:54:42 GMT 2023
PRIMARY
CAS
2850-40-0
Created by admin on Sat Dec 16 12:54:42 GMT 2023 , Edited by admin on Sat Dec 16 12:54:42 GMT 2023
PRIMARY