N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propionamide Formula: C24H32N6OS MolecularWeight: 452.61548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C24H32N6OS/c1-16(2)23-26-17(3)14-21(27-23)30-12-10-29(11-13-30)9-8-22(31)28-24-19(15-25)18-6-4-5-7-20(18)32-24/h14,16H,4-13H2,1-3H3,(H,28,31)