ethyl 4-[[4-(furan-2-ylmethylamino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-(furan-2-ylmethylamino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(2-furylmethylamino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(2-furanylmethylamino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(furan-2-ylmethylamino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(2-furfurylamino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O5/c1-3-28-18(25)13-6-8-14(9-7-13)22-19-21-12(2)16(24(26)27)17(23-19)20-11-15-5-4-10-29-15/h4-10H,3,11H2,1-2H3,(H2,20,21,22,23)