ethyl 2-[6-azanyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-amino-4-oxo-1-(3-pyridylmethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-4-oxo-1-(3-pyridinylmethyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-oxo-1-(pyridin-3-ylmethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-4-keto-1-(3-pyridylmethyl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C=C(N1CC2=CN=CC=C2)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C=C(N1CC2=CN=CC=C2)N

InChI

InChI=1S/C14H16N4O3S/c1-2-21-13(20)9-22-14-17-12(19)6-11(15)18(14)8-10-4-3-5-16-7-10/h3-7H,2,8-9,15H2,1H3