N-[1-(4-methoxyphenyl)ethylideneamino]-9-(phenylmethyl)purin-6-amine

Systemtic Name: N-[1-(4-methoxyphenyl)ethylideneamino]-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-N-[1-(4-methoxyphenyl)ethylideneamino]purin-6-amine CAS Name: N-[1-(4-methoxyphenyl)ethylideneamino]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-N-[1-(4-methoxyphenyl)ethylideneamino]purin-6-amine Traditional Name: (9-benzylpurin-6-yl)-[1-(4-methoxyphenyl)ethylideneamino]amine Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC=NC2=C1N=CN2CC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=NNC1=NC=NC2=C1N=CN2CC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H20N6O/c1-15(17-8-10-18(28-2)11-9-17)25-26-20-19-21(23-13-22-20)27(14-24-19)12-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,22,23,26)