5-(6-aminopurin-9-yl)-3-[(2-azanylcyclohexen-1-yl)sulfanyl-propanoyl-amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanylcyclohexen-1-yl)sulfanyl-propanoyl-amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(2-aminocyclohexen-1-yl)sulfanyl-propanoyl-amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[(2-amino-1-cyclohexenyl)thio]-(1-oxopropyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-aminocyclohexen-1-yl)sulfanyl-propanoylamino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[(2-aminocyclohexen-1-yl)thio]-propionyl-amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H25N7O5S MolecularWeight: 463.5107

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)SC4=C(CCCC4)N

Isomeric SMILES

CCC(=O)N(C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)SC4=C(CCCC4)N

InChI

InChI=1S/C19H25N7O5S/c1-2-11(27)26(32-10-6-4-3-5-9(10)20)13-14(28)18(31-15(13)19(29)30)25-8-24-12-16(21)22-7-23-17(12)25/h7-8,13-15,18,28H,2-6,20H2,1H3,(H,29,30)(H2,21,22,23)