2-[[3-chloranyl-4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]-6-fluoranyl-5-methyl-8-propan-2-yl-pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 2-[[3-chloranyl-4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]-6-fluoranyl-5-methyl-8-propan-2-yl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[3-chloro-4-[4-(3-piperazin-1-ylpropyl)-1-piperidyl]anilino]-6-fluoro-8-isopropyl-5-methyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[3-chloro-4-[4-[3-(1-piperazinyl)propyl]-1-piperidinyl]anilino]-6-fluoro-5-methyl-8-propan-2-yl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[3-chloro-4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]anilino]-6-fluoro-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[3-chloro-4-[4-(3-piperazinopropyl)piperidino]anilino]-6-fluoro-8-isopropyl-5-methyl-pyrido[2,3-d]pyrimidin-7-one Formula: C29H39ClFN7O MolecularWeight: 556.117663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=CC(=C(C=C3)N4CCC(CC4)CCCN5CCNCC5)Cl)C(C)C)F

Isomeric SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=CC(=C(C=C3)N4CCC(CC4)CCCN5CCNCC5)Cl)C(C)C)F

InChI

InChI=1S/C29H39ClFN7O/c1-19(2)38-27-23(20(3)26(31)28(38)39)18-33-29(35-27)34-22-6-7-25(24(30)17-22)37-13-8-21(9-14-37)5-4-12-36-15-10-32-11-16-36/h6-7,17-19,21,32H,4-5,8-16H2,1-3H3,(H,33,34,35)