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

Systemtic Name: 5-cyclopentylsulfanyl-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-cyclopentylsulfanyl-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(cyclopentylthio)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-cyclopentylsulfanyl-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(cyclopentylthio)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])SC4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])SC4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C19H19N5O4S/c1-22-16-14(18(25)23(2)19(22)26)17(29-13-8-3-4-9-13)21-15(20-16)11-6-5-7-12(10-11)24(27)28/h5-7,10,13H,3-4,8-9H2,1-2H3