9-butyl-N6-(phenylmethyl)-N2-prop-2-ynyl-purine-2,6-diamine

Systemtic Name: 9-butyl-N6-(phenylmethyl)-N2-prop-2-ynyl-purine-2,6-diamine Openeye Name: N6-benzyl-9-butyl-N2-prop-2-ynyl-purine-2,6-diamine CAS Name: 9-butyl-N6-(phenylmethyl)-N2-prop-2-ynylpurine-2,6-diamine IUPAC Name: 6-N-benzyl-9-butyl-2-N-prop-2-ynylpurine-2,6-diamine Traditional Name: benzyl-[9-butyl-2-(propargylamino)purin-6-yl]amine Formula: C19H22N6 MolecularWeight: 334.41818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCC#C

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCC#C

InChI

InChI=1S/C19H22N6/c1-3-5-12-25-14-22-16-17(21-13-15-9-7-6-8-10-15)23-19(20-11-4-2)24-18(16)25/h2,6-10,14H,3,5,11-13H2,1H3,(H2,20,21,23,24)