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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c26-19-17-13-24(10-8-15-5-2-1-3-6-15)14-22-18(17)25(20(27)23-19)12-16-7-4-9-21-11-16/h1-7,9,11,22H,8,10,12-14H2,(H,23,26,27)