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

Systemtic Name: methyl 4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H27N7O2 MolecularWeight: 397.47408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O2/c1-29-19(28)16-13-23-20(26-18(16)24-14-4-2-3-5-14)25-17-7-6-15(12-22-17)27-10-8-21-9-11-27/h6-7,12-14,21H,2-5,8-11H2,1H3,(H2,22,23,24,25,26)