ethyl 4-[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N7O4 MolecularWeight: 387.39314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O4/c1-3-28-17(25)23-9-7-22(8-10-23)16-13(24(26)27)15(19-11-20-16)21-14-12(2)5-4-6-18-14/h4-6,11H,3,7-10H2,1-2H3,(H,18,19,20,21)