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

Systemtic Name: [4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]phenyl]-piperidino-methanone Formula: C23H30N8O MolecularWeight: 434.5373

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C23H30N8O/c24-16-6-10-18(11-7-16)28-23-29-20-19(25-14-26-20)21(30-23)27-17-8-4-15(5-9-17)22(32)31-12-2-1-3-13-31/h4-5,8-9,14,16,18H,1-3,6-7,10-13,24H2,(H3,25,26,27,28,29,30)