methyl 4-(cyclopentylamino)-6-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(cyclopentylamino)-6-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: methyl 4-(cyclopentylamino)-6-methyl-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidine-5-carboxylate CAS Name: 4-(cyclopentylamino)-6-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(cyclopentylamino)-6-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate Traditional Name: 4-(cyclopentylamino)-6-methyl-2-[(5-piperazino-2-pyridyl)amino]pyrimidine-5-carboxylic acid methyl ester Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=NC=C(C=C2)N3CCNCC3)NC4CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=NC=C(C=C2)N3CCNCC3)NC4CCCC4)C(=O)OC

InChI

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