2-(2-cyclopropyl-5-ethanoyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(2-cyclopropyl-5-ethanoyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(5-acetyl-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-veratryl-acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCC3=CC(=C(C=C3)OC)OC)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCC3=CC(=C(C=C3)OC)OC)C(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-12-19(13(2)25)21(24-20(23-12)15-6-7-15)29-11-18(26)22-10-14-5-8-16(27-3)17(9-14)28-4/h5,8-9,15H,6-7,10-11H2,1-4H3,(H,22,26)