methyl 2-[7-[2,6-bis(chloranyl)phenyl]-2,4-bis(oxidanylidene)-1-(phenylmethyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-3-yl]ethanoate

Systemtic Name: methyl 2-[7-[2,6-bis(chloranyl)phenyl]-2,4-bis(oxidanylidene)-1-(phenylmethyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-3-yl]ethanoate Openeye Name: methyl 2-[1-benzyl-7-(2,6-dichlorophenyl)-2,4-dioxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-3-yl]acetate CAS Name: 2-[7-(2,6-dichlorophenyl)-2,4-dioxo-1-(phenylmethyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-benzyl-7-(2,6-dichlorophenyl)-2,4-dioxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-3-yl]acetate Traditional Name: 2-[1-benzyl-7-(2,6-dichlorophenyl)-2,4-diketo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-3-yl]acetic acid methyl ester Formula: C22H16Cl2N4O4S MolecularWeight: 503.35784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=C(NC(=NC2=S)C3=C(C=CC=C3Cl)Cl)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C(=O)C2=C(NC(=NC2=S)C3=C(C=CC=C3Cl)Cl)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H16Cl2N4O4S/c1-32-15(29)11-28-21(30)17-19(27(22(28)31)10-12-6-3-2-4-7-12)25-18(26-20(17)33)16-13(23)8-5-9-14(16)24/h2-9H,10-11H2,1H3,(H,25,26,33)