2-azanyl-8-(azepan-1-yl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-(azepan-1-yl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-8-(azepan-1-yl)-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-8-(1-azepanyl)-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-8-(azepan-1-yl)-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-8-(azepan-1-yl)-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C16H24N6O5 MolecularWeight: 380.39896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC(=NC3=O)N

Isomeric SMILES

C1CCCN(CC1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC(=NC3=O)N

InChI

InChI=1S/C16H24N6O5/c17-15-19-12-9(13(26)20-15)18-16(21-5-3-1-2-4-6-21)22(12)14-11(25)10(24)8(7-23)27-14/h8,10-11,14,23-25H,1-7H2,(H3,17,19,20,26)