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

Systemtic Name: 6-phenethyl-1-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-benzyl-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-phenethyl-1-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-benzyl-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-benzyl-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1CCC3=CC=CC=C3)N(C(=S)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1C2=C(NCN1CCC3=CC=CC=C3)N(C(=S)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-20-18-14-24(12-11-16-7-3-1-4-8-16)15-22-19(18)25(21(27)23-20)13-17-9-5-2-6-10-17/h1-10,22H,11-15H2,(H,23,26,27)