ethyl 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2-[2-[4-(3-methoxyphenyl)-1-piperazinyl]ethylamino]-4,6-dimethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethylpyrimidine-5-carboxylate Traditional Name: 2-[2-[4-(3-methoxyphenyl)piperazino]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O3/c1-5-30-21(28)20-16(2)24-22(25-17(20)3)23-9-10-26-11-13-27(14-12-26)18-7-6-8-19(15-18)29-4/h6-8,15H,5,9-14H2,1-4H3,(H,23,24,25)