1,3,7-tris(3-methylphenyl)-6-phenyl-2-sulfanylidene-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 1,3,7-tris(3-methylphenyl)-6-phenyl-2-sulfanylidene-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 1,3,7-tris(m-tolyl)-6-phenyl-2-thioxo-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 1,3,7-tris(3-methylphenyl)-6-phenyl-2-sulfanylidene-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 1,3,7-tris(3-methylphenyl)-6-phenyl-2-sulfanylidenepyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 1,3,7-tris(m-tolyl)-6-phenyl-2-thioxo-pyrrolo[2,3-d]pyrimidin-4-one Formula: C33H27N3OS MolecularWeight: 513.65198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC3=C2N(C(=S)N(C3=O)C4=CC=CC(=C4)C)C5=CC=CC(=C5)C)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC3=C2N(C(=S)N(C3=O)C4=CC=CC(=C4)C)C5=CC=CC(=C5)C)C6=CC=CC=C6

InChI

InChI=1S/C33H27N3OS/c1-22-10-7-15-26(18-22)34-30(25-13-5-4-6-14-25)21-29-31(34)35(27-16-8-11-23(2)19-27)33(38)36(32(29)37)28-17-9-12-24(3)20-28/h4-21H,1-3H3