5-(6-aminopurin-9-yl)-4-oxidanyl-3-(2-phenylazanylethanoylamino)oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-4-oxidanyl-3-(2-phenylazanylethanoylamino)oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[(2-anilinoacetyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-3-[(2-anilino-1-oxoethyl)amino]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-3-[(2-anilinoacetyl)amino]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[(2-anilinoacetyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C18H19N7O5 MolecularWeight: 413.38736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O5/c19-15-12-16(22-7-21-15)25(8-23-12)17-13(27)11(14(30-17)18(28)29)24-10(26)6-20-9-4-2-1-3-5-9/h1-5,7-8,11,13-14,17,20,27H,6H2,(H,24,26)(H,28,29)(H2,19,21,22)