2-[6-azanyl-1-(4-methoxyphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-azanyl-1-(4-methoxyphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[6-amino-1-(4-methoxyphenyl)-4-oxo-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[6-amino-1-(4-methoxyphenyl)-4-oxo-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[6-amino-1-(4-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[6-amino-4-keto-1-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetonitrile Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC#N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC#N)N

InChI

InChI=1S/C13H12N4O2S/c1-19-10-4-2-9(3-5-10)17-11(15)8-12(18)16-13(17)20-7-6-14/h2-5,8H,7,15H2,1H3