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

Systemtic Name: 2-azanyl-1-butanoyl-9-[2-butanoyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one Openeye Name: 2-amino-1-butanoyl-9-[2-butanoyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-(1-oxobutyl)-2-oxolanyl]-1-(1-oxobutyl)-6-purinone IUPAC Name: 2-amino-1-butanoyl-9-[2-butanoyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 2-amino-1-butyryl-9-(2-butyryl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C18H25N5O7 MolecularWeight: 423.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(C(C(C(O1)CO)O)O)N2C=NC3=C2N=C(N(C3=O)C(=O)CCC)N

Isomeric SMILES

CCCC(=O)C1(C(C(C(O1)CO)O)O)N2C=NC3=C2N=C(N(C3=O)C(=O)CCC)N

InChI

InChI=1S/C18H25N5O7/c1-3-5-10(25)18(14(28)13(27)9(7-24)30-18)22-8-20-12-15(22)21-17(19)23(16(12)29)11(26)6-4-2/h8-9,13-14,24,27-28H,3-7H2,1-2H3,(H2,19,21)