9-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-purin-6-amine

Systemtic Name: 9-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-purin-6-amine Openeye Name: 9-(m-tolylmethyl)-2-piperazin-1-yl-N-(tetrahydrofuran-2-ylmethyl)purin-6-amine CAS Name: 9-[(3-methylphenyl)methyl]-N-(2-oxolanylmethyl)-2-(1-piperazinyl)-6-purinamine IUPAC Name: 9-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylpurin-6-amine Traditional Name: [9-(3-methylbenzyl)-2-piperazino-purin-6-yl]-(tetrahydrofurfuryl)amine Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCNCC5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCNCC5

InChI

InChI=1S/C22H29N7O/c1-16-4-2-5-17(12-16)14-29-15-25-19-20(24-13-18-6-3-11-30-18)26-22(27-21(19)29)28-9-7-23-8-10-28/h2,4-5,12,15,18,23H,3,6-11,13-14H2,1H3,(H,24,26,27)