ethyl (Z)-3-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]but-2-enoate

Systemtic Name: ethyl (Z)-3-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]but-2-enoate Openeye Name: ethyl (Z)-3-[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidin-5-yl]but-2-enoate CAS Name: (Z)-3-[4-(cyclopentylamino)-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5-pyrimidinyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]but-2-enoate Traditional Name: (Z)-3-[4-(cyclopentylamino)-2-[(5-piperazino-2-pyridyl)amino]pyrimidin-5-yl]but-2-enoic acid ethyl ester Formula: C24H33N7O2 MolecularWeight: 451.56452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N7O2/c1-3-33-22(32)14-17(2)20-16-27-24(30-23(20)28-18-6-4-5-7-18)29-21-9-8-19(15-26-21)31-12-10-25-11-13-31/h8-9,14-16,18,25H,3-7,10-13H2,1-2H3,(H2,26,27,28,29,30)/b17-14-