6,7-diphenyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-pteridin-4-one

Systemtic Name: 6,7-diphenyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-pteridin-4-one Openeye Name: 6,7-diphenyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-1H-pteridin-4-one CAS Name: 6,7-diphenyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-pteridin-4-one IUPAC Name: 6,7-diphenyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-pteridin-4-one Traditional Name: 6,7-diphenyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-1H-pteridin-4-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(NC3C(N2)C(=O)NC(=S)N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C(NC3C(N2)C(=O)NC(=S)N3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4OS/c23-17-15-16(21-18(24)22-17)20-14(12-9-5-2-6-10-12)13(19-15)11-7-3-1-4-8-11/h1-10,13-16,19-20H,(H2,21,22,23,24)