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

Systemtic Name: 1,3-dimethyl-5-methylsulfanyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-methylsulfanyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(methylthio)-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-methylsulfanyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-(methylthio)-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O4S/c1-18-12-10(14(21)19(2)15(18)22)13(25-3)17-11(16-12)8-5-4-6-9(7-8)20(23)24/h4-7H,1-3H3