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

Systemtic Name: 9-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Openeye Name: 9-(m-tolylmethyl)-N-(tetrahydrofuran-2-ylmethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]purin-6-amine CAS Name: 9-[(3-methylphenyl)methyl]-N-(2-oxolanylmethyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-purinamine IUPAC Name: 9-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: [9-(3-methylbenzyl)-2-[4-(2-thienylsulfonyl)piperazino]purin-6-yl]-(tetrahydrofurfuryl)amine Formula: C26H31N7O3S2 MolecularWeight: 553.69944

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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)C6=CC=CS6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C26H31N7O3S2/c1-19-5-2-6-20(15-19)17-32-18-28-23-24(27-16-21-7-3-13-36-21)29-26(30-25(23)32)31-9-11-33(12-10-31)38(34,35)22-8-4-14-37-22/h2,4-6,8,14-15,18,21H,3,7,9-13,16-17H2,1H3,(H,27,29,30)