4-acetamidobenzoic acid; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(dimethylamino)propan-2-ol

Systemtic Name: 4-acetamidobenzoic acid; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(dimethylamino)propan-2-ol Openeye Name: 4-acetamidobenzoic acid; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 2-(dimethylamino)propan-2-ol CAS Name: 4-acetamidobenzoic acid; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(dimethylamino)-2-propanol IUPAC Name: 4-acetamidobenzoic acid; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(dimethylamino)propan-2-ol Traditional Name: 4-acetamidobenzoic acid; (2R,3R,4S,5R)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; 2-(dimethylamino)propan-2-ol Formula: C24H35N7O8 MolecularWeight: 549.5768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(C)(N(C)C)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(C)(N(C)C)O.C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C10H13N5O4.C9H9NO3.C5H13NO/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(2,7)6(3)4/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);2-5H,1H3,(H,10,11)(H,12,13);7H,1-4H3/t4-,6-,7-,10-;;/m1../s1