LAS-191954

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H15N9O
Molecular Weight	397.3928
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](NC1=NC=NC(N)=C1C#N)C2=NN3C=CC(C#N)=C3C(=O)N2C4=CC=CC=C4

InChI

InChIKey=QUMWKKVIZAIAHU-LBPRGKRZSA-N

InChI=1S/C20H15N9O/c1-12(26-18-15(10-22)17(23)24-11-25-18)19-27-28-8-7-13(9-21)16(28)20(30)29(19)14-5-3-2-4-6-14/h2-8,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H15N9O
Molecular Weight	397.3928
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:46:07 UTC 2023` Edited by `admin` on `Sat Dec 16 01:46:07 UTC 2023`
Record UNII	1MK0TQ597B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAS-191954

Common Name

English

PYRROLO(2,1-F)(1,2,4)TRIAZINE-5-CARBONITRILE, 2-((1S)-1-((6-AMINO-5-CYANO-4-PYRIMIDINYL)AMINO)ETHYL)-3,4-DIHYDRO-4-OXO-3-PHENYL-

Systematic Name

English

LAS191954

Code

English

2-((1S)-1-((6-AMINO-5-CYANO-4-PYRIMIDINYL)AMINO)ETHYL)-3,4-DIHYDRO-4-OXO-3-PHENYLPYRROLO(2,1-F)(1,2,4)TRIAZINE-5-CARBONITRILE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

548916