N2-phenethyl-9-prop-2-enyl-purine-2,6-diamine

Systemtic Name: N2-phenethyl-9-prop-2-enyl-purine-2,6-diamine Openeye Name: 9-allyl-N2-phenethyl-purine-2,6-diamine CAS Name: N2-phenethyl-9-prop-2-enylpurine-2,6-diamine IUPAC Name: 2-N-phenethyl-9-prop-2-enylpurine-2,6-diamine Traditional Name: (9-allyl-6-amino-purin-2-yl)-phenethyl-amine Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1N=C(N=C2N)NCCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C=NC2=C1N=C(N=C2N)NCCC3=CC=CC=C3

InChI

InChI=1S/C16H18N6/c1-2-10-22-11-19-13-14(17)20-16(21-15(13)22)18-9-8-12-6-4-3-5-7-12/h2-7,11H,1,8-10H2,(H3,17,18,20,21)