2-[(Z)-2-methyl-4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]but-2-enyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(Z)-2-methyl-4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]but-2-enyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[(Z)-4-[4-(3-isopropylphenyl)piperazin-1-yl]-2-methyl-but-2-enyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[(Z)-2-methyl-4-[4-(3-propan-2-ylphenyl)-1-piperazinyl]but-2-enyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[(Z)-2-methyl-4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]but-2-enyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[(Z)-4-(4-m-cumenylpiperazino)-2-methyl-but-2-enyl]thio]-1H-pyrimidin-6-one Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)N2CCN(CC2)CC=C(C)CSC3=NC=CC(=O)N3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)N2CCN(CC2)C/C=C(/C)\CSC3=NC=CC(=O)N3

InChI

InChI=1S/C22H30N4OS/c1-17(2)19-5-4-6-20(15-19)26-13-11-25(12-14-26)10-8-18(3)16-28-22-23-9-7-21(27)24-22/h4-9,15,17H,10-14,16H2,1-3H3,(H,23,24,27)/b18-8-