methyl 2-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxylate

Systemtic Name: methyl 2-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxylate Openeye Name: methyl 2-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxylate CAS Name: 2-[2-[4-(2,5-dimethoxyphenyl)-1-piperazinyl]ethylamino]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxylate Traditional Name: 2-[2-[4-(2,5-dimethoxyphenyl)piperazino]ethylamino]pyrimidine-4-carboxylic acid methyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2CCN(CC2)CCNC3=NC=CC(=N3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2CCN(CC2)CCNC3=NC=CC(=N3)C(=O)OC

InChI

InChI=1S/C20H27N5O4/c1-27-15-4-5-18(28-2)17(14-15)25-12-10-24(11-13-25)9-8-22-20-21-7-6-16(23-20)19(26)29-3/h4-7,14H,8-13H2,1-3H3,(H,21,22,23)