(2-azanyl-6-sulfanylidene-3,7-dihydropurin-8-yl)-phenyl-methanone

Systemtic Name: (2-azanyl-6-sulfanylidene-3,7-dihydropurin-8-yl)-phenyl-methanone Openeye Name: (2-amino-6-thioxo-3,7-dihydropurin-8-yl)-phenyl-methanone CAS Name: (2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)-phenylmethanone IUPAC Name: (2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)-phenylmethanone Traditional Name: (2-amino-6-thioxo-3,7-dihydropurin-8-yl)-phenyl-methanone Formula: C12H9N5OS MolecularWeight: 271.29776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=NC3=C(N2)C(=S)N=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=NC3=C(N2)C(=S)N=C(N3)N

InChI

InChI=1S/C12H9N5OS/c13-12-16-9-7(11(19)17-12)14-10(15-9)8(18)6-4-2-1-3-5-6/h1-5H,(H4,13,14,15,16,17,19)