7-(3-methoxyphenyl)-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC(=CC=C3)OC)SCC(=O)C4=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(32-13-17(28)14-8-5-4-6-9-14)25-19(24-20)15-10-7-11-16(12-15)31-3/h4-12H,13H2,1-3H3