[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-2-prop-2-enyl-oxolan-2-yl]methyl sulfamate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-2-prop-2-enyl-oxolan-2-yl]methyl sulfamate Openeye Name: [2-allyl-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate CAS Name: sulfamic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-prop-2-enyl-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-prop-2-enyloxolan-2-yl]methyl sulfamate Traditional Name: sulfamic acid (5-adenin-9-yl-2-allyl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C13H18N6O6S MolecularWeight: 386.38362

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)COS(=O)(=O)N

Isomeric SMILES

C=CCC1(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)COS(=O)(=O)N

InChI

InChI=1S/C13H18N6O6S/c1-2-3-13(4-24-26(15,22)23)9(21)8(20)12(25-13)19-6-18-7-10(14)16-5-17-11(7)19/h2,5-6,8-9,12,20-21H,1,3-4H2,(H2,14,16,17)(H2,15,22,23)