(2-methylsulfanyl-4-propyl-pyrimidin-5-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanyl-4-propyl-pyrimidin-5-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2-methylsulfanyl-4-propyl-pyrimidin-5-yl)methanone CAS Name: [2-(methylthio)-4-propyl-5-pyrimidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2-methylsulfanyl-4-propylpyrimidin-5-yl)methanone Traditional Name: (4-benzylpiperazino)-[2-(methylthio)-4-propyl-pyrimidin-5-yl]methanone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)SC

InChI

InChI=1S/C20H26N4OS/c1-3-7-18-17(14-21-20(22-18)26-2)19(25)24-12-10-23(11-13-24)15-16-8-5-4-6-9-16/h4-6,8-9,14H,3,7,10-13,15H2,1-2H3