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

Systemtic Name: 6-butan-2-yl-1-(3-methylphenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(m-tolyl)-6-sec-butyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-butan-2-yl-1-(3-methylphenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-butan-2-yl-1-(3-methylphenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(m-tolyl)-6-sec-butyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCC(C)N1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C17H22N4OS/c1-4-12(3)20-9-14-15(18-10-20)21(17(23)19-16(14)22)13-7-5-6-11(2)8-13/h5-8,12,18H,4,9-10H2,1-3H3,(H,19,22,23)