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

Systemtic Name: 1-(2,3-dimethylphenyl)-6-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(2,3-dimethylphenyl)-6-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(2,3-dimethylphenyl)-6-(3-pyridinylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-(2,3-dimethylphenyl)-6-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(2,3-dimethylphenyl)-6-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-13-5-3-7-17(14(13)2)25-18-16(19(26)23-20(25)27)11-24(12-22-18)10-15-6-4-8-21-9-15/h3-9,22H,10-12H2,1-2H3,(H,23,26,27)