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

Systemtic Name: N-butyl-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine Openeye Name: N-butyl-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine CAS Name: N-butyl-2-methyl-8-phenyl-9-[2-(1-pyrrolidinyl)ethyl]-6-purinamine IUPAC Name: N-butyl-2-methyl-8-phenyl-9-(2-pyrrolidin-1-ylethyl)purin-6-amine Traditional Name: butyl-[2-methyl-8-phenyl-9-(2-pyrrolidinoethyl)purin-6-yl]amine Formula: C22H30N6 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=C(N2CCN3CCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=C(N2CCN3CCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H30N6/c1-3-4-12-23-20-19-22(25-17(2)24-20)28(16-15-27-13-8-9-14-27)21(26-19)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-16H2,1-2H3,(H,23,24,25)