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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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