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

Systemtic Name: 5-(2-diethylaminoethylsulfanyl)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-(2-diethylaminoethylsulfanyl)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(2-diethylaminoethylthio)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-diethylaminoethylsulfanyl)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(2-diethylaminoethylthio)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4S/c1-5-25(6-2)10-11-31-18-15-17(23(3)20(28)24(4)19(15)27)21-16(22-18)13-8-7-9-14(12-13)26(29)30/h7-9,12H,5-6,10-11H2,1-4H3