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

Systemtic Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)C4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)C4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C22H17N5O5S/c1-25-19-17(21(29)26(2)22(25)30)20(33-12-16(28)13-6-4-3-5-7-13)24-18(23-19)14-8-10-15(11-9-14)27(31)32/h3-11H,12H2,1-2H3