N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine

Systemtic Name: N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Openeye Name: N2-(3-phenylpropyl)-9-[1-(4-pyridyl)propyl]purine-2,6-diamine CAS Name: N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine IUPAC Name: 2-N-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Traditional Name: [6-amino-9-[1-(4-pyridyl)propyl]purin-2-yl]-(3-phenylpropyl)amine Formula: C22H25N7 MolecularWeight: 387.4808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C=NC3=C2N=C(N=C3N)NCCCC4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C=NC3=C2N=C(N=C3N)NCCCC4=CC=CC=C4

InChI

InChI=1S/C22H25N7/c1-2-18(17-10-13-24-14-11-17)29-15-26-19-20(23)27-22(28-21(19)29)25-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15,18H,2,6,9,12H2,1H3,(H3,23,25,27,28)