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

Systemtic Name: 1-[6-cyano-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]-3-cyclohexyl-urea Openeye Name: 1-[6-cyano-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-cyclohexyl-urea CAS Name: 1-[6-cyano-2-[4-(1-piperazinyl)anilino]-7-pyrido[2,3-d]pyrimidinyl]-3-cyclohexylurea IUPAC Name: 1-[6-cyano-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-cyclohexylurea Traditional Name: 1-[6-cyano-2-(4-piperazinoanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-cyclohexyl-urea Formula: C25H29N9O MolecularWeight: 471.55746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=NC3=NC(=NC=C3C=C2C#N)NC4=CC=C(C=C4)N5CCNCC5

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=NC3=NC(=NC=C3C=C2C#N)NC4=CC=C(C=C4)N5CCNCC5

InChI

InChI=1S/C25H29N9O/c26-15-17-14-18-16-28-24(29-20-6-8-21(9-7-20)34-12-10-27-11-13-34)32-23(18)31-22(17)33-25(35)30-19-4-2-1-3-5-19/h6-9,14,16,19,27H,1-5,10-13H2,(H3,28,29,30,31,32,33,35)