N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)-9-(phenylmethyl)purin-6-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-9-benzyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)purin-6-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)-9-(phenylmethyl)-6-purinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-9-benzyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)purin-6-amine Traditional Name: [9-benzyl-2-(4-mesyl-1,4-diazepan-1-yl)purin-6-yl]-piperonyl-amine Formula: C26H29N7O4S MolecularWeight: 535.61796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC6=CC=CC=C6

InChI

InChI=1S/C26H29N7O4S/c1-38(34,35)33-11-5-10-31(12-13-33)26-29-24(27-15-20-8-9-21-22(14-20)37-18-36-21)23-25(30-26)32(17-28-23)16-19-6-3-2-4-7-19/h2-4,6-9,14,17H,5,10-13,15-16,18H2,1H3,(H,27,29,30)