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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(2-azanylpyrimidin-4-yl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[2-amino-3-(2-aminopyrimidin-4-yl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-(2-amino-4-pyrimidinyl)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-(2-aminopyrimidin-4-yl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(2-aminopyrimidin-4-yl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C17H20N10O5 MolecularWeight: 444.4047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N)N

Isomeric SMILES

C1=CN=C(N=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N)N

InChI

InChI=1S/C17H20N10O5/c18-7(3-6-1-2-21-17(20)25-6)14(29)26-8-10(28)15(32-11(8)16(30)31)27-5-24-9-12(19)22-4-23-13(9)27/h1-2,4-5,7-8,10-11,15,28H,3,18H2,(H,26,29)(H,30,31)(H2,19,22,23)(H2,20,21,25)