ethyl 3-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4/c1-4-27-18(24)13-6-5-7-14(10-13)22-17-15(23(25)26)16(20-11-21-17)19-9-8-12(2)3/h5-7,10-12H,4,8-9H2,1-3H3,(H2,19,20,21,22)