5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 5,7-dimethyl-2-[(4-nitrophenyl)methylthio]-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 5,7-dimethyl-2-[(4-nitrobenzyl)thio]-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H14N4O3S/c1-9-7-10(2)17-14-13(9)15(21)19-16(18-14)24-8-11-3-5-12(6-4-11)20(22)23/h3-7H,8H2,1-2H3,(H,17,18,19,21)