6-methyl-4,5-bis(oxidanyl)-3-sulfanyl-oxan-2-olate; 2-(3-methylbut-3-enyl)-7H-purin-6-amine

Systemtic Name: 6-methyl-4,5-bis(oxidanyl)-3-sulfanyl-oxan-2-olate; 2-(3-methylbut-3-enyl)-7H-purin-6-amine Openeye Name: 4,5-dihydroxy-6-methyl-3-sulfanyl-tetrahydropyran-2-olate; 2-(3-methylbut-3-enyl)-7H-purin-6-amine CAS Name: 4,5-dihydroxy-3-mercapto-6-methyl-2-oxanolate; 2-(3-methylbut-3-enyl)-7H-purin-6-amine IUPAC Name: 4,5-dihydroxy-6-methyl-3-sulfanyloxan-2-olate; 2-(3-methylbut-3-enyl)-7H-purin-6-amine Traditional Name: 4,5-dihydroxy-3-mercapto-6-methyl-tetrahydropyran-2-olate; [2-(3-methylbut-3-enyl)-7H-purin-6-yl]amine Formula: C16H24N5O4S- MolecularWeight: 382.45786

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)[O-])S)O)O.CC(=C)CCC1=NC2=C(C(=N1)N)NC=N2

Isomeric SMILES

CC1C(C(C(C(O1)[O-])S)O)O.CC(=C)CCC1=NC2=C(C(=N1)N)NC=N2

InChI

InChI=1S/C10H13N5.C6H11O4S/c1-6(2)3-4-7-14-9(11)8-10(15-7)13-5-12-8;1-2-3(7)4(8)5(11)6(9)10-2/h5H,1,3-4H2,2H3,(H3,11,12,13,14,15);2-8,11H,1H3/q;-1