3-methyl-7-(2-methylpropyl)-5-[(3-nitrophenyl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-5-[(3-nitrophenyl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isobutyl-3-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3-methyl-7-(2-methylpropyl)-5-[(3-nitrophenyl)methylthio]-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-5-[(3-nitrophenyl)methylsulfanyl]-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isobutyl-3-methyl-5-[(3-nitrobenzyl)thio]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)CC(C)C)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)CC(C)C)SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C21H25N5O4S/c1-5-9-25-18-17(20(27)24(4)21(25)28)19(23-16(22-18)10-13(2)3)31-12-14-7-6-8-15(11-14)26(29)30/h6-8,11,13H,5,9-10,12H2,1-4H3