2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C14H14N4O3S/c1-8-4-12(15)18-14(16-8)22-6-13(19)17-9-2-3-10-11(5-9)21-7-20-10/h2-5H,6-7H2,1H3,(H,17,19)(H2,15,16,18)