5-[[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]methyl]thiophene-2-sulfonamide

Systemtic Name: 5-[[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]methyl]thiophene-2-sulfonamide Openeye Name: 5-[[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]methyl]thiophene-2-sulfonamide CAS Name: 5-[[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]methyl]-2-thiophenesulfonamide IUPAC Name: 5-[[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]methyl]thiophene-2-sulfonamide Traditional Name: 5-[[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]methyl]thiophene-2-sulfonamide Formula: C17H22N6O3S2 MolecularWeight: 422.52498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NCC4=CC=C(S4)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NCC4=CC=C(S4)S(=O)(=O)N

InChI

InChI=1S/C17H22N6O3S2/c18-28(24,25)13-7-6-12(27-13)8-19-17-22-15-14(20-10-21-15)16(23-17)26-9-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H2,18,24,25)(H2,19,20,21,22,23)