N-[6-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]-2-methyl-propanamide

Systemtic Name: N-[6-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]-2-methyl-propanamide Openeye Name: N-[6-amino-1-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-pyrimidin-5-yl]-2-methyl-propanamide CAS Name: N-[6-amino-1-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-5-pyrimidinyl]-2-methylpropanamide IUPAC Name: N-[6-amino-1-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]-2-methylpropanamide Traditional Name: N-(6-amino-4-keto-1-piperonyl-2-thioxo-pyrimidin-5-yl)-2-methyl-propionamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(N(C(=S)NC1=O)CC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC(C)C(=O)NC1=C(N(C(=S)NC1=O)CC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H18N4O4S/c1-8(2)14(21)18-12-13(17)20(16(25)19-15(12)22)6-9-3-4-10-11(5-9)24-7-23-10/h3-5,8H,6-7,17H2,1-2H3,(H,18,21)(H,19,22,25)