4-Amino-1-[2-deoxy-5-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18N4O5
Molecular Weight	346.3379
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Amino-1-[2-deoxy-5-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one

Structure Search

SMILES

CC1=CC=C(C=C1)C(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=NC(N)=NC3=O

InChI

InChIKey=LTKDRTCPODDNKU-YNEHKIRRSA-N

InChI=1S/C16H18N4O5/c1-9-2-4-10(5-3-9)14(22)24-7-12-11(21)6-13(25-12)20-8-18-15(17)19-16(20)23/h2-5,8,11-13,21H,6-7H2,1H3,(H2,17,19,23)/t11-,12+,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H18N4O5
Molecular Weight	346.3379
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:49:13 GMT 2023` Edited by `admin` on `Sat Dec 16 19:49:13 GMT 2023`
Record UNII	8UVP3ZU2ZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Amino-1-[2-deoxy-5-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one

Systematic Name

English

4-Amino-1-[2-deoxy-5-O-(4-methylbenzoyl)-b-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one

Systematic Name

English

1,3,5-Triazin-2(1H)-one, 4-amino-1-[2-deoxy-5-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-

Systematic Name

English

[(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

168006622

Created by admin on Sat Dec 16 19:49:13 GMT 2023 , Edited by admin on Sat Dec 16 19:49:13 GMT 2023

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FDA UNII

8UVP3ZU2ZJ

Created by admin on Sat Dec 16 19:49:13 GMT 2023 , Edited by admin on Sat Dec 16 19:49:13 GMT 2023

PRIMARY

CAS

183016-22-0

Created by admin on Sat Dec 16 19:49:13 GMT 2023 , Edited by admin on Sat Dec 16 19:49:13 GMT 2023

PRIMARY