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

Systemtic Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylthio]-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-[(4-nitrobenzyl)thio]-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C21H17N5O4S/c1-24-18-16(20(27)25(2)21(24)28)19(23-17(22-18)14-6-4-3-5-7-14)31-12-13-8-10-15(11-9-13)26(29)30/h3-11H,12H2,1-2H3