5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(2-azanylethylsulfanyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(2-azanylethylsulfanyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[2-amino-3-(2-aminoethylsulfanyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-(2-aminoethylthio)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-(2-aminoethylsulfanyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(2-aminoethylthio)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C15H22N8O5S MolecularWeight: 426.45078

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)O)NC(=O)C(CSCCN)N)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)O)NC(=O)C(CSCCN)N)O

InChI

InChI=1S/C15H22N8O5S/c16-1-2-29-3-6(17)13(25)22-7-9(24)14(28-10(7)15(26)27)23-5-21-8-11(18)19-4-20-12(8)23/h4-7,9-10,14,24H,1-3,16-17H2,(H,22,25)(H,26,27)(H2,18,19,20)