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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-veratryl-propionamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C16H20N4O4S/c1-9(25-16-19-13(17)7-14(21)20-16)15(22)18-8-10-4-5-11(23-2)12(6-10)24-3/h4-7,9H,8H2,1-3H3,(H,18,22)(H3,17,19,20,21)