ethyl 4-[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4/c1-3-29-19(26)24-11-9-23(10-12-24)18-16(25(27)28)17(20-14-21-18)22(2)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3