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

Systemtic Name: 7-cyclopropyl-1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopropyl-1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopropyl-1,3-dimethyl-5-[(4-nitrophenyl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopropyl-1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopropyl-1,3-dimethyl-5-[(4-nitrobenzyl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C18H17N5O4S/c1-21-15-13(17(24)22(2)18(21)25)16(20-14(19-15)11-5-6-11)28-9-10-3-7-12(8-4-10)23(26)27/h3-4,7-8,11H,5-6,9H2,1-2H3