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

Systemtic Name: 1-(4-methylphenyl)-6-[(1S)-1-phenylethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-[(1S)-1-phenylethyl]-1-(p-tolyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-[(1S)-1-phenylethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-[(1S)-1-phenylethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-[(1S)-1-phenylethyl]-1-(p-tolyl)-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=C(C=C1)N2C3=C(CN(CN3)C(C)C4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(CN(CN3)[C@@H](C)C4=CC=CC=C4)C(=O)NC2=S

InChI

InChI=1S/C21H22N4OS/c1-14-8-10-17(11-9-14)25-19-18(20(26)23-21(25)27)12-24(13-22-19)15(2)16-6-4-3-5-7-16/h3-11,15,22H,12-13H2,1-2H3,(H,23,26,27)/t15-/m0/s1