(2R)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-ethanoylphenyl)butanamide

Systemtic Name: (2R)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-ethanoylphenyl)butanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]butanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butyramide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C16H18N4O3S/c1-3-12(24-16-19-13(17)8-14(22)20-16)15(23)18-11-6-4-10(5-7-11)9(2)21/h4-8,12H,3H2,1-2H3,(H,18,23)(H3,17,19,20,22)/t12-/m1/s1