4-oxidanyl-3-[(phenylmethyl)amino]-2-purin-9-yl-oxolane-2-carboxylic acid

Systemtic Name: 4-oxidanyl-3-[(phenylmethyl)amino]-2-purin-9-yl-oxolane-2-carboxylic acid Openeye Name: 3-(benzylamino)-4-hydroxy-2-purin-9-yl-tetrahydrofuran-2-carboxylic acid CAS Name: 4-hydroxy-3-[(phenylmethyl)amino]-2-(9-purinyl)-2-oxolanecarboxylic acid IUPAC Name: 3-(benzylamino)-4-hydroxy-2-purin-9-yloxolane-2-carboxylic acid Traditional Name: 3-(benzylamino)-4-hydroxy-2-purin-9-yl-tetrahydrofuran-2-carboxylic acid Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)(C(=O)O)N2C=NC3=CN=CN=C32)NCC4=CC=CC=C4)O

Isomeric SMILES

C1C(C(C(O1)(C(=O)O)N2C=NC3=CN=CN=C32)NCC4=CC=CC=C4)O

InChI

InChI=1S/C17H17N5O4/c23-13-8-26-17(16(24)25,14(13)19-6-11-4-2-1-3-5-11)22-10-21-12-7-18-9-20-15(12)22/h1-5,7,9-10,13-14,19,23H,6,8H2,(H,24,25)