ethyl 4-(ethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(ethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-benzylpiperazin-1-yl)-4-(ethylamino)pyrimidine-5-carboxylate CAS Name: 4-(ethylamino)-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylpiperazin-1-yl)-4-(ethylamino)pyrimidine-5-carboxylate Traditional Name: 2-(4-benzylpiperazino)-4-(ethylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C(=O)OCC)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC(=NC=C1C(=O)OCC)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-3-21-18-17(19(26)27-4-2)14-22-20(23-18)25-12-10-24(11-13-25)15-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,21,22,23)