2-methylsulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-N-[1-(phenylmethyl)-4-piperidinyl]-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)SC

InChI

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