[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3,4-dimethylphenyl)sulfanyl-3-pyridyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-[(3,4-dimethylphenyl)thio]-3-pyridyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H23N5OS/c1-16-6-7-18(15-17(16)2)29-20-19(5-3-8-23-20)21(28)26-11-13-27(14-12-26)22-24-9-4-10-25-22/h3-10,15H,11-14H2,1-2H3