N-[6-azanyl-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide

Systemtic Name: N-[6-azanyl-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-(2-hydroxyethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-(2-hydroxyethylthio)-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCO)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCO)N

InChI

InChI=1S/C14H16N4O3S/c1-8-2-4-9(5-3-8)12(20)16-10-11(15)17-14(18-13(10)21)22-7-6-19/h2-5,19H,6-7H2,1H3,(H,16,20)(H3,15,17,18,21)