3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]-N-veratryl-propionamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H26N4O4S/c1-12-15(13(2)24-20(23-12)29-11-18(21)25)6-8-19(26)22-10-14-5-7-16(27-3)17(9-14)28-4/h5,7,9H,6,8,10-11H2,1-4H3,(H2,21,25)(H,22,26)