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

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]-sulfanyl-methyl]-1H-quinolin-2-one Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)-sulfanyl-methyl]-1H-quinolin-2-one CAS Name: 4-[(4,6-diamino-2-pyrimidinyl)-mercaptomethyl]-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)-mercapto-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)C(C3=NC(=CC(=N3)N)N)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C(C3=NC(=CC(=N3)N)N)S

InChI

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