(phenylmethyl) 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate Openeye Name: benzyl 2-(1,3-dimethyl-2,4-dioxo-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-phenyl-5-pyrimido[4,5-d]pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(2,4-diketo-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetic acid benzyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)OCC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)OCC4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C23H20N4O4S/c1-26-20-18(22(29)27(2)23(26)30)21(25-19(24-20)16-11-7-4-8-12-16)32-14-17(28)31-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3