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

Systemtic Name: N-(3-butoxyphenyl)-2-chloranyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-N-(3-butoxyphenyl)-2-chloro-purin-6-amine CAS Name: N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-N-(3-butoxyphenyl)-2-chloropurin-6-amine Traditional Name: (9-benzyl-2-chloro-purin-6-yl)-(3-butoxyphenyl)amine Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O/c1-2-3-12-29-18-11-7-10-17(13-18)25-20-19-21(27-22(23)26-20)28(15-24-19)14-16-8-5-4-6-9-16/h4-11,13,15H,2-3,12,14H2,1H3,(H,25,26,27)