2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-ethyl-5-(m-tolylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-ethyl-5-(3-methylbenzyl)-6-[4-(2-thenoyl)piperazino]pyrimidin-2-yl]acetonitrile Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC(=C4)C

InChI

InChI=1S/C25H27N5OS/c1-3-21-20(17-19-7-4-6-18(2)16-19)24(28-23(27-21)9-10-26)29-11-13-30(14-12-29)25(31)22-8-5-15-32-22/h4-8,15-16H,3,9,11-14,17H2,1-2H3