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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(cyclopropylmethylsulfanyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[2-amino-3-(cyclopropylmethylsulfanyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-(cyclopropylmethylthio)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-(cyclopropylmethylsulfanyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(cyclopropylmethylthio)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C17H23N7O5S MolecularWeight: 437.47342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CSCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

C1CC1CSCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C17H23N7O5S/c18-8(4-30-3-7-1-2-7)15(26)23-9-11(25)16(29-12(9)17(27)28)24-6-22-10-13(19)20-5-21-14(10)24/h5-9,11-12,16,25H,1-4,18H2,(H,23,26)(H,27,28)(H2,19,20,21)