[4-[[2-[(4-oxidanylcyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[2-[(4-oxidanylcyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[2-[(4-hydroxycyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[2-[(4-hydroxycyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[2-[(4-hydroxycyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[2-[(4-hydroxycyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-piperidino-methanone Formula: C23H29N7O2 MolecularWeight: 435.52206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3NC=N4)NC5CCC(CC5)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3NC=N4)NC5CCC(CC5)O

InChI

InChI=1S/C23H29N7O2/c31-18-10-8-17(9-11-18)27-23-28-20-19(24-14-25-20)21(29-23)26-16-6-4-15(5-7-16)22(32)30-12-2-1-3-13-30/h4-7,14,17-18,31H,1-3,8-13H2,(H3,24,25,26,27,28,29)