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

Systemtic Name: 7-ethyl-1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-ethyl-1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-ethyl-1,3-dimethyl-5-[(3-nitrophenyl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-ethyl-1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-ethyl-1,3-dimethyl-5-[(3-nitrobenzyl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H17N5O4S/c1-4-12-18-14-13(16(23)21(3)17(24)20(14)2)15(19-12)27-9-10-6-5-7-11(8-10)22(25)26/h5-8H,4,9H2,1-3H3