2-chloranyl-N-[(4-methoxyphenyl)methyl]-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-chloranyl-N-[(4-methoxyphenyl)methyl]-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-chloro-N-[(4-methoxyphenyl)methyl]purin-6-amine CAS Name: 2-chloro-N-[(4-methoxyphenyl)methyl]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-chloro-N-[(4-methoxyphenyl)methyl]purin-6-amine Traditional Name: (9-benzyl-2-chloro-purin-6-yl)-p-anisyl-amine Formula: C20H18ClN5O MolecularWeight: 379.84282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H18ClN5O/c1-27-16-9-7-14(8-10-16)11-22-18-17-19(25-20(21)24-18)26(13-23-17)12-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,24,25)