N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

Systemtic Name: N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine Openeye Name: N'-(2-chloro-9-cyclopentyl-purin-6-yl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine CAS Name: N'-(2-chloro-9-cyclopentyl-6-purinyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine IUPAC Name: N'-(2-chloro-9-cyclopentylpurin-6-yl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[2-(p-anisylamino)ethyl]amine Formula: C20H25ClN6O MolecularWeight: 400.9051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C20H25ClN6O/c1-28-16-8-6-14(7-9-16)12-22-10-11-23-18-17-19(26-20(21)25-18)27(13-24-17)15-4-2-3-5-15/h6-9,13,15,22H,2-5,10-12H2,1H3,(H,23,25,26)