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

Systemtic Name: 6-(phenylmethyl)-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-benzyl-1-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-(phenylmethyl)-1-(3-pyridinylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-benzyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-benzyl-1-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C19H19N5OS MolecularWeight: 365.45206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1CC3=CC=CC=C3)N(C(=S)NC2=O)CC4=CN=CC=C4

Isomeric SMILES

C1C2=C(NCN1CC3=CC=CC=C3)N(C(=S)NC2=O)CC4=CN=CC=C4

InChI

InChI=1S/C19H19N5OS/c25-18-16-12-23(10-14-5-2-1-3-6-14)13-21-17(16)24(19(26)22-18)11-15-7-4-8-20-9-15/h1-9,21H,10-13H2,(H,22,25,26)