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

Systemtic Name: N-[6-azanyl-1-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]-2-methyl-propanamide Openeye Name: N-[6-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-thioxo-pyrimidin-5-yl]-2-methyl-propanamide CAS Name: N-[6-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-sulfanylidene-5-pyrimidinyl]-2-methylpropanamide IUPAC Name: N-[6-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]-2-methylpropanamide Traditional Name: N-(6-amino-4-keto-2-thioxo-1-veratryl-pyrimidin-5-yl)-2-methyl-propionamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(N(C(=S)NC1=O)CC2=CC(=C(C=C2)OC)OC)N

Isomeric SMILES

CC(C)C(=O)NC1=C(N(C(=S)NC1=O)CC2=CC(=C(C=C2)OC)OC)N

InChI

InChI=1S/C17H22N4O4S/c1-9(2)15(22)19-13-14(18)21(17(26)20-16(13)23)8-10-5-6-11(24-3)12(7-10)25-4/h5-7,9H,8,18H2,1-4H3,(H,19,22)(H,20,23,26)