[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methyl N-(2-hydroxyphenyl)carbonylsulfamate

Systemtic Name: [(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methyl N-(2-hydroxyphenyl)carbonylsulfamate Openeye Name: [(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methyl N-(2-hydroxybenzoyl)sulfamate CAS Name: N-[(2-hydroxyphenyl)-oxomethyl]sulfamic acid [(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methyl ester IUPAC Name: [(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methyl N-(2-hydroxybenzoyl)sulfamate Traditional Name: N-salicyloylsulfamic acid [(1R,3S)-3-adenin-9-ylcyclopentyl]methyl ester Formula: C18H20N6O5S MolecularWeight: 432.4536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1COS(=O)(=O)NC(=O)C2=CC=CC=C2O)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1C[C@@H](C[C@@H]1COS(=O)(=O)NC(=O)C2=CC=CC=C2O)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C18H20N6O5S/c19-16-15-17(21-9-20-16)24(10-22-15)12-6-5-11(7-12)8-29-30(27,28)23-18(26)13-3-1-2-4-14(13)25/h1-4,9-12,25H,5-8H2,(H,23,26)(H2,19,20,21)/t11-,12+/m1/s1