(Z)-4-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]pent-3-en-2-one

Systemtic Name: (Z)-4-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]pent-3-en-2-one Openeye Name: (Z)-4-[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidin-5-yl]pent-3-en-2-one CAS Name: (Z)-4-[4-(cyclopentylamino)-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5-pyrimidinyl]-3-penten-2-one IUPAC Name: (Z)-4-[4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]pent-3-en-2-one Traditional Name: (Z)-4-[4-(cyclopentylamino)-2-[(5-piperazino-2-pyridyl)amino]pyrimidin-5-yl]pent-3-en-2-one Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7O/c1-16(13-17(2)31)20-15-26-23(29-22(20)27-18-5-3-4-6-18)28-21-8-7-19(14-25-21)30-11-9-24-10-12-30/h7-8,13-15,18,24H,3-6,9-12H2,1-2H3,(H2,25,26,27,28,29)/b16-13-