N-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]-8-(4-methylthiophen-3-yl)quinoxaline-5-carboxamide

Systemtic Name: N-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]-8-(4-methylthiophen-3-yl)quinoxaline-5-carboxamide Openeye Name: N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridyl]-8-(4-methyl-3-thienyl)quinoxaline-5-carboxamide CAS Name: N-[5-[(4-methyl-1-piperazinyl)methyl]-2-pyridinyl]-8-(4-methyl-3-thiophenyl)-5-quinoxalinecarboxamide IUPAC Name: N-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]-8-(4-methylthiophen-3-yl)quinoxaline-5-carboxamide Traditional Name: N-[5-[(4-methylpiperazino)methyl]-2-pyridyl]-8-(4-methyl-3-thienyl)quinoxaline-5-carboxamide Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=C1C2=C3C(=C(C=C2)C(=O)NC4=NC=C(C=C4)CN5CCN(CC5)C)N=CC=N3

Isomeric SMILES

CC1=CSC=C1C2=C3C(=C(C=C2)C(=O)NC4=NC=C(C=C4)CN5CCN(CC5)C)N=CC=N3

InChI

InChI=1S/C25H26N6OS/c1-17-15-33-16-21(17)19-4-5-20(24-23(19)26-7-8-27-24)25(32)29-22-6-3-18(13-28-22)14-31-11-9-30(2)10-12-31/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,29,32)