9-[1-(4-methoxyphenyl)ethyl]-8-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 9-[1-(4-methoxyphenyl)ethyl]-8-(phenylmethyl)purine-2,6-diamine Openeye Name: 8-benzyl-9-[1-(4-methoxyphenyl)ethyl]purine-2,6-diamine CAS Name: 9-[1-(4-methoxyphenyl)ethyl]-8-(phenylmethyl)purine-2,6-diamine IUPAC Name: 8-benzyl-9-[1-(4-methoxyphenyl)ethyl]purine-2,6-diamine Traditional Name: [2-amino-8-benzyl-9-[1-(4-methoxyphenyl)ethyl]purin-6-yl]amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)N2C(=NC3=C2N=C(N=C3N)N)CC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)N2C(=NC3=C2N=C(N=C3N)N)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O/c1-13(15-8-10-16(28-2)11-9-15)27-17(12-14-6-4-3-5-7-14)24-18-19(22)25-21(23)26-20(18)27/h3-11,13H,12H2,1-2H3,(H4,22,23,25,26)