4-(5-methyl-1-benzothiophen-2-yl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 4-(5-methyl-1-benzothiophen-2-yl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-(5-methylbenzothiophen-2-yl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-(5-methyl-1-benzothiophen-2-yl)-N-[3-(4-methyl-1-piperazinyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine IUPAC Name: 4-(5-methyl-1-benzothiophen-2-yl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-(5-methylbenzothiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-[3-(4-methylpiperazino)phenyl]amine Formula: C26H26N6S MolecularWeight: 454.58984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2)C3=C4C=CNC4=NC(=N3)NC5=CC=CC(=C5)N6CCN(CC6)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2)C3=C4C=CNC4=NC(=N3)NC5=CC=CC(=C5)N6CCN(CC6)C

InChI

InChI=1S/C26H26N6S/c1-17-6-7-22-18(14-17)15-23(33-22)24-21-8-9-27-25(21)30-26(29-24)28-19-4-3-5-20(16-19)32-12-10-31(2)11-13-32/h3-9,14-16H,10-13H2,1-2H3,(H2,27,28,29,30)