N2-phenethyl-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine

Systemtic Name: N2-phenethyl-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Openeye Name: N2-phenethyl-9-[1-(4-pyridyl)propyl]purine-2,6-diamine CAS Name: N2-phenethyl-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine IUPAC Name: 2-N-phenethyl-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Traditional Name: [6-amino-9-[1-(4-pyridyl)propyl]purin-2-yl]-phenethyl-amine Formula: C21H23N7 MolecularWeight: 373.45422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H23N7/c1-2-17(16-9-11-23-12-10-16)28-14-25-18-19(22)26-21(27-20(18)28)24-13-8-15-6-4-3-5-7-15/h3-7,9-12,14,17H,2,8,13H2,1H3,(H3,22,24,26,27)