9-methyl-8-pyridin-4-yl-N-[3-(2-pyrrolidin-1-ylethyl)phenyl]purin-2-amine

Systemtic Name: 9-methyl-8-pyridin-4-yl-N-[3-(2-pyrrolidin-1-ylethyl)phenyl]purin-2-amine Openeye Name: 9-methyl-8-(4-pyridyl)-N-[3-(2-pyrrolidin-1-ylethyl)phenyl]purin-2-amine CAS Name: 9-methyl-8-pyridin-4-yl-N-[3-[2-(1-pyrrolidinyl)ethyl]phenyl]-2-purinamine IUPAC Name: 9-methyl-8-pyridin-4-yl-N-[3-(2-pyrrolidin-1-ylethyl)phenyl]purin-2-amine Traditional Name: [9-methyl-8-(4-pyridyl)purin-2-yl]-[3-(2-pyrrolidinoethyl)phenyl]amine Formula: C23H25N7 MolecularWeight: 399.4915

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)NC3=CC=CC(=C3)CCN4CCCC4)C5=CC=NC=C5

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)NC3=CC=CC(=C3)CCN4CCCC4)C5=CC=NC=C5

InChI

InChI=1S/C23H25N7/c1-29-21(18-7-10-24-11-8-18)27-20-16-25-23(28-22(20)29)26-19-6-4-5-17(15-19)9-14-30-12-2-3-13-30/h4-8,10-11,15-16H,2-3,9,12-14H2,1H3,(H,25,26,28)