N2-(3-azanylpropyl)-N6-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(3-azanylpropyl)-N6-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(3-aminopropyl)-N6-benzyl-9-isopropyl-purine-2,6-diamine CAS Name: N2-(3-aminopropyl)-N6-(phenylmethyl)-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(3-aminopropyl)-6-N-benzyl-9-propan-2-ylpurine-2,6-diamine Traditional Name: 3-aminopropyl-[6-(benzylamino)-9-isopropyl-purin-2-yl]amine Formula: C18H25N7 MolecularWeight: 339.438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCCN

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCCN

InChI

InChI=1S/C18H25N7/c1-13(2)25-12-22-15-16(21-11-14-7-4-3-5-8-14)23-18(24-17(15)25)20-10-6-9-19/h3-5,7-8,12-13H,6,9-11,19H2,1-2H3,(H2,20,21,23,24)