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

Systemtic Name: ethyl 4-[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[bis(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28N6O4 MolecularWeight: 476.52762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O4/c1-2-35-25(32)29-15-13-28(14-16-29)23-22(31(33)34)24(27-19-26-23)30(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-12,19H,2,13-18H2,1H3