4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinolin-2-one

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinolin-2-one Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-1H-quinolin-2-one IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]carbostyril Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H13N5OS/c15-11-6-12(16)19-14(18-11)21-7-8-5-13(20)17-10-4-2-1-3-9(8)10/h1-6H,7H2,(H,17,20)(H4,15,16,18,19)