1-(2,3-dimethylphenyl)-6-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 1-(2,3-dimethylphenyl)-6-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-benzyl-1-(2,3-dimethylphenyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(2,3-dimethylphenyl)-6-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-benzyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-benzyl-1-(2,3-dimethylphenyl)-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=C(C(=CC=C1)N2C3=C(CN(CN3)CC4=CC=CC=C4)C(=O)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=C(CN(CN3)CC4=CC=CC=C4)C(=O)NC2=S)C

InChI

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