1-(2-methylprop-2-enyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 1-(2-methylprop-2-enyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(2-methylallyl)-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(2-methylprop-2-enyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-(2-methylprop-2-enyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(2-methylallyl)-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(CN(CN2)CCC3=CC=CC=C3)C(=O)NC1=S

Isomeric SMILES

CC(=C)CN1C2=C(CN(CN2)CCC3=CC=CC=C3)C(=O)NC1=S

InChI

InChI=1S/C18H22N4OS/c1-13(2)10-22-16-15(17(23)20-18(22)24)11-21(12-19-16)9-8-14-6-4-3-5-7-14/h3-7,19H,1,8-12H2,2H3,(H,20,23,24)