ethyl (2Z)-3-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-2-hydroxyimino-propanoate

Systemtic Name: ethyl (2Z)-3-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-2-hydroxyimino-propanoate Openeye Name: ethyl (2Z)-3-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-hydroxyimino-propanoate CAS Name: (2Z)-3-[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-2-hydroxyiminopropanoic acid ethyl ester IUPAC Name: ethyl (2Z)-3-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-hydroxyiminopropanoate Traditional Name: (2Z)-3-[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-2-hydroximino-propionic acid ethyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NO)CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)/C(=N\O)/CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)N

InChI

InChI=1S/C16H18N4O4S/c1-2-24-15(22)12(20-23)8-11-13(17)18-16(19-14(11)21)25-9-10-6-4-3-5-7-10/h3-7,23H,2,8-9H2,1H3,(H3,17,18,19,21)/b20-12-