ethyl 4-[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N6O5 MolecularWeight: 416.43106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O5/c1-3-30-19(26)24-10-8-23(9-11-24)18-16(25(27)28)17(21-13-22-18)20-12-14-4-6-15(29-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,20,21,22)