2-azanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-sulfanylidene-7H-purin-6-one

Systemtic Name: 2-azanyl-1-hexadecanoyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-sulfanylidene-7H-purin-6-one Openeye Name: 2-amino-1-hexadecanoyl-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-thioxo-7H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxohexadecyl)-8-sulfanylidene-7H-purin-6-one IUPAC Name: 2-amino-1-hexadecanoyl-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-7H-purin-6-one Traditional Name: 2-amino-1-hexadecanoyl-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-8-thioxo-7H-purin-6-one Formula: C26H43N5O5S MolecularWeight: 537.71512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C(=S)N2)C3CC(C(O3)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1C(=O)C2=C(N=C1N)N(C(=S)N2)C3CC(C(O3)CO)O

InChI

InChI=1S/C26H43N5O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(34)30-24(35)22-23(29-25(30)27)31(26(37)28-22)21-16-18(33)19(17-32)36-21/h18-19,21,32-33H,2-17H2,1H3,(H2,27,29)(H,28,37)