1-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidin-5-yl]ethanone CAS Name: 1-[4-(cyclopentylamino)-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(cyclopentylamino)-2-[(5-piperazino-2-pyridyl)amino]pyrimidin-5-yl]ethanone Formula: C20H27N7O MolecularWeight: 381.47468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O/c1-14(28)17-13-23-20(26-19(17)24-15-4-2-3-5-15)25-18-7-6-16(12-22-18)27-10-8-21-9-11-27/h6-7,12-13,15,21H,2-5,8-11H2,1H3,(H2,22,23,24,25,26)