N-[[6-[(4-methoxyphenyl)methylamino]-7H-purin-2-yl]methyl]-2-methyl-propane-1-sulfonamide hydrochloride

Systemtic Name: N-[[6-[(4-methoxyphenyl)methylamino]-7H-purin-2-yl]methyl]-2-methyl-propane-1-sulfonamide hydrochloride Openeye Name: N-[[6-[(4-methoxyphenyl)methylamino]-7H-purin-2-yl]methyl]-2-methyl-propane-1-sulfonamide hydrochloride CAS Name: N-[[6-[(4-methoxyphenyl)methylamino]-7H-purin-2-yl]methyl]-2-methyl-1-propanesulfonamide hydrochloride IUPAC Name: N-[[6-[(4-methoxyphenyl)methylamino]-7H-purin-2-yl]methyl]-2-methylpropane-1-sulfonamide hydrochloride Traditional Name: 2-methyl-N-[[6-(p-anisylamino)-7H-purin-2-yl]methyl]propane-1-sulfonamide hydrochloride Formula: C18H25ClN6O3S MolecularWeight: 440.9475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)NCC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)OC)NC=N2.Cl

Isomeric SMILES

CC(C)CS(=O)(=O)NCC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)OC)NC=N2.Cl

InChI

InChI=1S/C18H24N6O3S.ClH/c1-12(2)10-28(25,26)22-9-15-23-17(16-18(24-15)21-11-20-16)19-8-13-4-6-14(27-3)7-5-13;/h4-7,11-12,22H,8-10H2,1-3H3,(H2,19,20,21,23,24);1H