[2-chloranyl-4-[(4-thiophen-2-ylpyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [2-chloranyl-4-[(4-thiophen-2-ylpyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [2-chloro-4-[[4-(2-thienyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [2-chloro-4-[(4-thiophen-2-yl-2-pyrimidinyl)amino]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [2-chloro-4-[(4-thiophen-2-ylpyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [2-chloro-4-[[4-(2-thienyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazino)methanone Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=CC=CS4)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=CC=CS4)Cl

InChI

InChI=1S/C20H20ClN5OS/c1-25-8-10-26(11-9-25)19(27)15-5-4-14(13-16(15)21)23-20-22-7-6-17(24-20)18-3-2-12-28-18/h2-7,12-13H,8-11H2,1H3,(H,22,23,24)