2-chloranyl-9-(phenylmethyl)-N-(3-propan-2-yloxyphenyl)purin-6-amine

Systemtic Name: 2-chloranyl-9-(phenylmethyl)-N-(3-propan-2-yloxyphenyl)purin-6-amine Openeye Name: 9-benzyl-2-chloro-N-(3-isopropoxyphenyl)purin-6-amine CAS Name: 2-chloro-9-(phenylmethyl)-N-(3-propan-2-yloxyphenyl)-6-purinamine IUPAC Name: 9-benzyl-2-chloro-N-(3-propan-2-yloxyphenyl)purin-6-amine Traditional Name: (9-benzyl-2-chloro-purin-6-yl)-(3-isopropoxyphenyl)amine Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O/c1-14(2)28-17-10-6-9-16(11-17)24-19-18-20(26-21(22)25-19)27(13-23-18)12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)