ethyl 2-[6-azanyl-1-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-1-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-amino-1-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-1-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-1-[2-(1H-imidazol-5-yl)ethyl]-4-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-1-[2-(1H-imidazol-5-yl)ethyl]-4-keto-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C=C(N1CCC2=CN=CN2)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C=C(N1CCC2=CN=CN2)N

InChI

InChI=1S/C13H17N5O3S/c1-2-21-12(20)7-22-13-17-11(19)5-10(14)18(13)4-3-9-6-15-8-16-9/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)