1-[4-ethynyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(octadecylamino)pyrimidin-2-one

Systemtic Name: 1-[4-ethynyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(octadecylamino)pyrimidin-2-one Openeye Name: 1-[4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(octadecylamino)pyrimidin-2-one CAS Name: 1-[4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(octadecylamino)-2-pyrimidinone IUPAC Name: 1-[4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(octadecylamino)pyrimidin-2-one Traditional Name: 1-(4-ethynyl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-(stearylamino)pyrimidin-2-one Formula: C29H49N3O5 MolecularWeight: 519.71646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)(C#C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)(C#C)O)O

InChI

InChI=1S/C29H49N3O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-25-20-22-32(28(35)31-25)27-26(34)29(36,4-2)24(23-33)37-27/h2,20,22,24,26-27,33-34,36H,3,5-19,21,23H2,1H3,(H,30,31,35)