ethyl 1-[4-[[5-aminocarbonyl-4-[(phenylmethyl)amino]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[5-aminocarbonyl-4-[(phenylmethyl)amino]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-(benzylamino)-5-carbamoyl-pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[[5-carbamoyl-4-[(phenylmethyl)amino]-2-pyrimidinyl]amino]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(benzylamino)-5-carbamoylpyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[4-(benzylamino)-5-carbamoyl-pyrimidin-2-yl]amino]phenyl]isonipecotic acid ethyl ester Formula: C26H30N6O3 MolecularWeight: 474.5548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H30N6O3/c1-2-35-25(34)19-12-14-32(15-13-19)21-10-8-20(9-11-21)30-26-29-17-22(23(27)33)24(31-26)28-16-18-6-4-3-5-7-18/h3-11,17,19H,2,12-16H2,1H3,(H2,27,33)(H2,28,29,30,31)