[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-(4-anilino-6-methyl-2-pyrimidinyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazino]-(2-thienyl)methanone Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=CS3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=CS3)NC4=CC=CC=C4

InChI

InChI=1S/C20H21N5OS/c1-15-14-18(22-16-6-3-2-4-7-16)23-20(21-15)25-11-9-24(10-12-25)19(26)17-8-5-13-27-17/h2-8,13-14H,9-12H2,1H3,(H,21,22,23)