ethyl 4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidine-5-carboxylate CAS Name: 4-(cyclopentylamino)-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate Traditional Name: 4-(cyclopentylamino)-2-[(5-piperazino-2-pyridyl)amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2CCCC2)NC3=NC=C(C=C3)N4CCNCC4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2CCCC2)NC3=NC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C21H29N7O2/c1-2-30-20(29)17-14-24-21(27-19(17)25-15-5-3-4-6-15)26-18-8-7-16(13-23-18)28-11-9-22-10-12-28/h7-8,13-15,22H,2-6,9-12H2,1H3,(H2,23,24,25,26,27)