2-azanyl-8-hexanoyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-hexanoyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one Openeye Name: 2-amino-8-hexanoyl-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-8-(1-oxohexyl)-3H-purin-6-one IUPAC Name: 2-amino-8-hexanoyl-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one Traditional Name: 2-amino-8-caproyl-9-(4-hydroxy-3-methylol-butyl)-3H-purin-6-one Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N

Isomeric SMILES

CCCCCC(=O)C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C16H25N5O4/c1-2-3-4-5-11(24)13-18-12-14(19-16(17)20-15(12)25)21(13)7-6-10(8-22)9-23/h10,22-23H,2-9H2,1H3,(H3,17,19,20,25)