2-[(3-ethanoylphenyl)amino]-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-[(3-ethanoylphenyl)amino]-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-(3-acetylanilino)-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-(3-acetylanilino)-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-(3-acetylanilino)-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-(3-acetylanilino)-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H19N5O6/c1-8(25)9-3-2-4-10(5-9)20-18-21-15-12(16(28)22-18)19-7-23(15)17-14(27)13(26)11(6-24)29-17/h2-5,7,11,13-14,17,24,26-27H,6H2,1H3,(H2,20,21,22,28)