4-azanyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; (2-hept-2-ynylsulfanylphenyl) ethanoate

Systemtic Name: 4-azanyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; (2-hept-2-ynylsulfanylphenyl) ethanoate Openeye Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; (2-hept-2-ynylsulfanylphenyl) acetate CAS Name: acetic acid [2-(hept-2-ynylthio)phenyl] ester; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; (2-hept-2-ynylsulfanylphenyl) acetate Traditional Name: acetic acid [2-(hept-2-ynylthio)phenyl] ester; 4-amino-1-[(2R,5S)-2-methylol-1,3-oxathiolan-5-yl]pyrimidin-2-one Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCSC1=CC=CC=C1OC(=O)C.C1C(OC(S1)CO)N2C=CC(=NC2=O)N

Isomeric SMILES

CCCCC#CCSC1=CC=CC=C1OC(=O)C.C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C15H18O2S.C8H11N3O3S/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)17-13(2)16;9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h7-8,10-11H,3-5,12H2,1-2H3;1-2,6-7,12H,3-4H2,(H2,9,10,13)/t;6-,7+/m.0/s1