4-[(6-azanyl-7H-purin-8-yl)-sulfanyl-methyl]-1H-quinolin-2-one

Systemtic Name: 4-[(6-azanyl-7H-purin-8-yl)-sulfanyl-methyl]-1H-quinolin-2-one Openeye Name: 4-[(6-amino-7H-purin-8-yl)-sulfanyl-methyl]-1H-quinolin-2-one CAS Name: 4-[(6-amino-7H-purin-8-yl)-mercaptomethyl]-1H-quinolin-2-one IUPAC Name: 4-[(6-amino-7H-purin-8-yl)-sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[(6-amino-7H-purin-8-yl)-mercapto-methyl]carbostyril Formula: C15H12N6OS MolecularWeight: 324.36038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)C(C3=NC4=C(N3)C(=NC=N4)N)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C(C3=NC4=C(N3)C(=NC=N4)N)S

InChI

InChI=1S/C15H12N6OS/c16-13-11-14(18-6-17-13)21-15(20-11)12(23)8-5-10(22)19-9-4-2-1-3-7(8)9/h1-6,12,23H,(H,19,22)(H3,16,17,18,20,21)