N-(6-azanyl-4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-5-yl)-4-ethoxy-benzamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-5-yl)-4-ethoxy-benzamide Openeye Name: N-(6-amino-2-isopropylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(propan-2-ylthio)-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-(6-amino-4-oxo-2-propan-2-ylsulfanyl-1H-pyrimidin-5-yl)-4-ethoxybenzamide Traditional Name: N-[6-amino-2-(isopropylthio)-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC(C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC(C)C)N

InChI

InChI=1S/C16H20N4O3S/c1-4-23-11-7-5-10(6-8-11)14(21)18-12-13(17)19-16(20-15(12)22)24-9(2)3/h5-9H,4H2,1-3H3,(H,18,21)(H3,17,19,20,22)