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

Systemtic Name: ethyl 4-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(benzylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O4/c1-2-28-18(25)23-10-8-22(9-11-23)17-15(24(26)27)16(20-13-21-17)19-12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,19,20,21)