phenyl 2-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethanoate

Systemtic Name: phenyl 2-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethanoate Openeye Name: phenyl 2-[5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]acetate CAS Name: 2-[5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]acetic acid phenyl ester IUPAC Name: phenyl 2-[5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]acetate Traditional Name: 2-[5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]acetic acid phenyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)CC(=O)OC2=CC=CC=C2)N3C=CC(=NC3=O)N

Isomeric SMILES

C1C(OC(S1)CC(=O)OC2=CC=CC=C2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C15H15N3O4S/c16-11-6-7-18(15(20)17-11)12-9-23-14(22-12)8-13(19)21-10-4-2-1-3-5-10/h1-7,12,14H,8-9H2,(H2,16,17,20)