1-cyclohexyl-3-[6-fluoranyl-5-methyl-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]urea

Systemtic Name: 1-cyclohexyl-3-[6-fluoranyl-5-methyl-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]urea Openeye Name: 1-cyclohexyl-3-[6-fluoro-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea CAS Name: 1-cyclohexyl-3-[6-fluoro-5-methyl-2-[4-(1-piperazinyl)anilino]-7-pyrido[2,3-d]pyrimidinyl]urea IUPAC Name: 1-cyclohexyl-3-[6-fluoro-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea Traditional Name: 1-cyclohexyl-3-[6-fluoro-5-methyl-2-(4-piperazinoanilino)pyrido[2,3-d]pyrimidin-7-yl]urea Formula: C25H31FN8O MolecularWeight: 478.565043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC(=NC=C12)NC3=CC=C(C=C3)N4CCNCC4)NC(=O)NC5CCCCC5)F

Isomeric SMILES

CC1=C(C(=NC2=NC(=NC=C12)NC3=CC=C(C=C3)N4CCNCC4)NC(=O)NC5CCCCC5)F

InChI

InChI=1S/C25H31FN8O/c1-16-20-15-28-24(29-18-7-9-19(10-8-18)34-13-11-27-12-14-34)32-22(20)31-23(21(16)26)33-25(35)30-17-5-3-2-4-6-17/h7-10,15,17,27H,2-6,11-14H2,1H3,(H3,28,29,30,31,32,33,35)