5-(6-aminopurin-9-yl)-3-[(2-azanyl-4-prop-2-enylsulfanyl-butanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-4-prop-2-enylsulfanyl-butanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(4-allylsulfanyl-2-amino-butanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-1-oxo-4-(prop-2-enylthio)butyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-amino-4-prop-2-enylsulfanylbutanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[4-(allylthio)-2-amino-butanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C17H23N7O5S MolecularWeight: 437.47342

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCCC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

Isomeric SMILES

C=CCSCCC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

InChI

InChI=1S/C17H23N7O5S/c1-2-4-30-5-3-8(18)15(26)23-9-11(25)16(29-12(9)17(27)28)24-7-22-10-13(19)20-6-21-14(10)24/h2,6-9,11-12,16,25H,1,3-5,18H2,(H,23,26)(H,27,28)(H2,19,20,21)