2-[5-chloranyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide

Systemtic Name: 2-[5-chloranyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide Openeye Name: 2-[5-chloro-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-benzothiophene-4-carboxamide CAS Name: 2-[5-chloro-2-[3-(4-methyl-1-piperazinyl)propylamino]-4-pyrimidinyl]-N-cyclopropyl-1-benzothiophene-4-carboxamide IUPAC Name: 2-[5-chloro-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide Traditional Name: 2-[5-chloro-2-[3-(4-methylpiperazino)propylamino]pyrimidin-4-yl]-N-cyclopropyl-benzothiophene-4-carboxamide Formula: C24H29ClN6OS MolecularWeight: 485.04466

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=NC=C(C(=N2)C3=CC4=C(C=CC=C4S3)C(=O)NC5CC5)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC=C(C(=N2)C3=CC4=C(C=CC=C4S3)C(=O)NC5CC5)Cl

InChI

InChI=1S/C24H29ClN6OS/c1-30-10-12-31(13-11-30)9-3-8-26-24-27-15-19(25)22(29-24)21-14-18-17(4-2-5-20(18)33-21)23(32)28-16-6-7-16/h2,4-5,14-16H,3,6-13H2,1H3,(H,28,32)(H,26,27,29)