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

Systemtic Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-isopentylsulfanyl-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(3-methylbutylthio)-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(isoamylthio)-1,3-dimethyl-7-(3-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4S/c1-11(2)8-9-29-17-14-16(22(3)19(26)23(4)18(14)25)20-15(21-17)12-6-5-7-13(10-12)24(27)28/h5-7,10-11H,8-9H2,1-4H3