N-[3-(2-dimethylaminoethyl)phenyl]-9-ethyl-8-pyridin-4-yl-purin-2-amine

Systemtic Name: N-[3-(2-dimethylaminoethyl)phenyl]-9-ethyl-8-pyridin-4-yl-purin-2-amine Openeye Name: N-[3-(2-dimethylaminoethyl)phenyl]-9-ethyl-8-(4-pyridyl)purin-2-amine CAS Name: N-[3-(2-dimethylaminoethyl)phenyl]-9-ethyl-8-pyridin-4-yl-2-purinamine IUPAC Name: N-[3-(2-dimethylaminoethyl)phenyl]-9-ethyl-8-pyridin-4-ylpurin-2-amine Traditional Name: 2-[3-[[9-ethyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]ethyl-dimethyl-amine Formula: C22H25N7 MolecularWeight: 387.4808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CN=C(N=C21)NC3=CC=CC(=C3)CCN(C)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NC2=CN=C(N=C21)NC3=CC=CC(=C3)CCN(C)C)C4=CC=NC=C4

InChI

InChI=1S/C22H25N7/c1-4-29-20(17-8-11-23-12-9-17)26-19-15-24-22(27-21(19)29)25-18-7-5-6-16(14-18)10-13-28(2)3/h5-9,11-12,14-15H,4,10,13H2,1-3H3,(H,24,25,27)