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

Systemtic Name: 1-(3-chlorophenyl)-6-(furan-2-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(3-chlorophenyl)-6-(2-furylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(3-chlorophenyl)-6-(2-furanylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-(3-chlorophenyl)-6-(furan-2-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(3-chlorophenyl)-6-(2-furfuryl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C17H15ClN4O2S MolecularWeight: 374.8446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1CC3=CC=CO3)N(C(=S)NC2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C2=C(NCN1CC3=CC=CO3)N(C(=S)NC2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H15ClN4O2S/c18-11-3-1-4-12(7-11)22-15-14(16(23)20-17(22)25)9-21(10-19-15)8-13-5-2-6-24-13/h1-7,19H,8-10H2,(H,20,23,25)