2-[4-(aminomethyl)piperidin-1-yl]-N-[(4-phenylphenyl)methyl]-9-propan-2-yl-purin-6-amine

Systemtic Name: 2-[4-(aminomethyl)piperidin-1-yl]-N-[(4-phenylphenyl)methyl]-9-propan-2-yl-purin-6-amine Openeye Name: 2-[4-(aminomethyl)-1-piperidyl]-9-isopropyl-N-[(4-phenylphenyl)methyl]purin-6-amine CAS Name: 2-[4-(aminomethyl)-1-piperidinyl]-N-[(4-phenylphenyl)methyl]-9-propan-2-yl-6-purinamine IUPAC Name: 2-[4-(aminomethyl)piperidin-1-yl]-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurin-6-amine Traditional Name: [2-[4-(aminomethyl)piperidino]-9-isopropyl-purin-6-yl]-(4-phenylbenzyl)amine Formula: C27H33N7 MolecularWeight: 455.59782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)N5CCC(CC5)CN

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)N5CCC(CC5)CN

InChI

InChI=1S/C27H33N7/c1-19(2)34-18-30-24-25(31-27(32-26(24)34)33-14-12-20(16-28)13-15-33)29-17-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-11,18-20H,12-17,28H2,1-2H3,(H,29,31,32)