ethyl 4,6-dimethyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4,6-dimethyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4,6-dimethyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]pyrimidine-5-carboxylate CAS Name: 4,6-dimethyl-2-[2-(4-phenyl-1-piperazinyl)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dimethyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]pyrimidine-5-carboxylate Traditional Name: 4,6-dimethyl-2-[2-(4-phenylpiperazino)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)NCCN2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)NCCN2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H29N5O2/c1-4-28-20(27)19-16(2)23-21(24-17(19)3)22-10-11-25-12-14-26(15-13-25)18-8-6-5-7-9-18/h5-9H,4,10-15H2,1-3H3,(H,22,23,24)