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

Systemtic Name: methyl 4-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4/c1-28-19(25)13-8-10-15(11-9-13)23-18-16(24(26)27)17(20-12-21-18)22-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,20,21,22,23)