3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]propanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]propanamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4OS/c1-15-19(16(2)23-21(22-15)27-3)9-10-20(26)24-18-11-12-25(14-18)13-17-7-5-4-6-8-17/h4-8,18H,9-14H2,1-3H3,(H,24,26)