4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N5O4/c1-23(11-13-5-3-2-4-6-13)18-16(24(27)28)17(20-12-21-18)22-15-9-7-14(8-10-15)19(25)26/h2-10,12H,11H2,1H3,(H,25,26)(H,20,21,22)