N-(3-cyanothiophen-2-yl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propionamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H26N6OS/c1-14(2)19-22-15(3)12-17(23-19)26-9-7-25(8-10-26)6-4-18(27)24-20-16(13-21)5-11-28-20/h5,11-12,14H,4,6-10H2,1-3H3,(H,24,27)