methyl 4-[[3-[[2-azanyl-5-nitro-6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]-2-oxidanylidene-propyl]-methyl-amino]benzoate

Systemtic Name: methyl 4-[[3-[[2-azanyl-5-nitro-6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]-2-oxidanylidene-propyl]-methyl-amino]benzoate Openeye Name: methyl 4-[[3-[(2-amino-6-benzylsulfanyl-5-nitro-pyrimidin-4-yl)amino]-2-oxo-propyl]-methyl-amino]benzoate CAS Name: 4-[[3-[[2-amino-5-nitro-6-(phenylmethylthio)-4-pyrimidinyl]amino]-2-oxopropyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-amino-6-benzylsulfanyl-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]-methylamino]benzoate Traditional Name: 4-[[3-[[2-amino-6-(benzylthio)-5-nitro-pyrimidin-4-yl]amino]-2-keto-propyl]-methyl-amino]benzoic acid methyl ester Formula: C23H24N6O5S MolecularWeight: 496.53886

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)CNC1=C(C(=NC(=N1)N)SCC2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC(=O)CNC1=C(C(=NC(=N1)N)SCC2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H24N6O5S/c1-28(17-10-8-16(9-11-17)22(31)34-2)13-18(30)12-25-20-19(29(32)33)21(27-23(24)26-20)35-14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H3,24,25,26,27)