9-[(3-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)purin-6-amine

Systemtic Name: 9-[(3-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)purin-6-amine Openeye Name: 2-(4-methylsulfonylpiperazin-1-yl)-9-(m-tolylmethyl)-N-(tetrahydrofuran-2-ylmethyl)purin-6-amine CAS Name: 9-[(3-methylphenyl)methyl]-2-(4-methylsulfonyl-1-piperazinyl)-N-(2-oxolanylmethyl)-6-purinamine IUPAC Name: 9-[(3-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)purin-6-amine Traditional Name: [2-(4-mesylpiperazino)-9-(3-methylbenzyl)purin-6-yl]-(tetrahydrofurfuryl)amine Formula: C23H31N7O3S MolecularWeight: 485.60234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C23H31N7O3S/c1-17-5-3-6-18(13-17)15-29-16-25-20-21(24-14-19-7-4-12-33-19)26-23(27-22(20)29)28-8-10-30(11-9-28)34(2,31)32/h3,5-6,13,16,19H,4,7-12,14-15H2,1-2H3,(H,24,26,27)