N-butyl-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine

Systemtic Name: N-butyl-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine Openeye Name: N-butyl-2-methyl-8-phenyl-9-[2-(1-piperidyl)ethyl]purin-6-amine CAS Name: N-butyl-2-methyl-8-phenyl-9-[2-(1-piperidinyl)ethyl]-6-purinamine IUPAC Name: N-butyl-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine Traditional Name: butyl-[2-methyl-8-phenyl-9-(2-piperidinoethyl)purin-6-yl]amine Formula: C23H32N6 MolecularWeight: 392.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=C(N2CCN3CCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=C(N2CCN3CCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H32N6/c1-3-4-13-24-21-20-23(26-18(2)25-21)29(17-16-28-14-9-6-10-15-28)22(27-20)19-11-7-5-8-12-19/h5,7-8,11-12H,3-4,6,9-10,13-17H2,1-2H3,(H,24,25,26)