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

Systemtic Name: 1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[(3-nitrophenyl)methylthio]-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(3-nitrophenyl)methylsulfanyl]-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-[(3-nitrobenzyl)thio]-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H15N5O4S2 MolecularWeight: 441.4835

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C19H15N5O4S2/c1-22-16-14(18(25)23(2)19(22)26)17(21-15(20-16)13-7-4-8-29-13)30-10-11-5-3-6-12(9-11)24(27)28/h3-9H,10H2,1-2H3