1-(2-methylphenyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 1-(2-methylphenyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(o-tolyl)-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(2-methylphenyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-(2-methylphenyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(o-tolyl)-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)NC2=S

InChI

InChI=1S/C21H22N4OS/c1-15-7-5-6-10-18(15)25-19-17(20(26)23-21(25)27)13-24(14-22-19)12-11-16-8-3-2-4-9-16/h2-10,22H,11-14H2,1H3,(H,23,26,27)