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

Systemtic Name: 1-[2-(2,5-dimethylphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-[2-(2,5-dimethylphenyl)ethyl]-6-propyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-[2-(2,5-dimethylphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-[2-(2,5-dimethylphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-[2-(2,5-dimethylphenyl)ethyl]-6-propyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C19H26N4OS/c1-4-8-22-11-16-17(20-12-22)23(19(25)21-18(16)24)9-7-15-10-13(2)5-6-14(15)3/h5-6,10,20H,4,7-9,11-12H2,1-3H3,(H,21,24,25)