(2Z)-8-azanyl-2-(5-methyl-6-sulfanylidene-cyclohexa-2,4-dien-1-ylidene)purin-6-one

Systemtic Name: (2Z)-8-azanyl-2-(5-methyl-6-sulfanylidene-cyclohexa-2,4-dien-1-ylidene)purin-6-one Openeye Name: (2Z)-8-amino-2-(5-methyl-6-thioxo-cyclohexa-2,4-dien-1-ylidene)purin-6-one CAS Name: (2Z)-8-amino-2-(5-methyl-6-sulfanylidene-1-cyclohexa-2,4-dienylidene)-6-purinone IUPAC Name: (2Z)-8-amino-2-(5-methyl-6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)purin-6-one Traditional Name: (2Z)-8-amino-2-(5-methyl-6-thioxo-cyclohexa-2,4-dien-1-ylidene)purin-6-one Formula: C12H9N5OS MolecularWeight: 271.29776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C2NC(=O)C3=NC(=NC3=N2)N)C1=S

Isomeric SMILES

CC1=CC=C/C(=C/2\NC(=O)C3=NC(=NC3=N2)N)/C1=S

InChI

InChI=1S/C12H9N5OS/c1-5-3-2-4-6(8(5)19)9-15-10-7(11(18)16-9)14-12(13)17-10/h2-4H,1H3,(H,16,18)(H2,13,15,17)/b9-6+