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

Systemtic Name: 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-yl-purin-2-amine Openeye Name: 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-(4-pyridyl)purin-2-amine CAS Name: 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-yl-2-purinamine IUPAC Name: 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine Traditional Name: ethyl-[4-[[9-ethyl-8-(4-pyridyl)purin-2-yl]amino]benzyl]amine Formula: C21H23N7 MolecularWeight: 373.45422

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)CC

Isomeric SMILES

CCNCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)CC

InChI

InChI=1S/C21H23N7/c1-3-22-13-15-5-7-17(8-6-15)25-21-24-14-18-20(27-21)28(4-2)19(26-18)16-9-11-23-12-10-16/h5-12,14,22H,3-4,13H2,1-2H3,(H,24,25,27)