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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-4-phenylsulfanyl-butanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(2-amino-4-phenylsulfanyl-butanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-1-oxo-4-(phenylthio)butyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-amino-4-phenylsulfanylbutanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-4-(phenylthio)butanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C20H23N7O5S MolecularWeight: 473.50552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

C1=CC=C(C=C1)SCCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C20H23N7O5S/c21-11(6-7-33-10-4-2-1-3-5-10)18(29)26-12-14(28)19(32-15(12)20(30)31)27-9-25-13-16(22)23-8-24-17(13)27/h1-5,8-9,11-12,14-15,19,28H,6-7,21H2,(H,26,29)(H,30,31)(H2,22,23,24)