4-(2,2-dimethylpropylamino)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-6-[2-(4-methyl-1-piperazinyl)ethoxy]-2-quinazolinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline-2-carbonitrile Traditional Name: 6-[2-(4-methylpiperazino)ethoxy]-4-(neopentylamino)quinazoline-2-carbonitrile Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC2=C1C=C(C=C2)OCCN3CCN(CC3)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC2=C1C=C(C=C2)OCCN3CCN(CC3)C)C#N

InChI

InChI=1S/C21H30N6O/c1-21(2,3)15-23-20-17-13-16(5-6-18(17)24-19(14-22)25-20)28-12-11-27-9-7-26(4)8-10-27/h5-6,13H,7-12,15H2,1-4H3,(H,23,24,25)