4-(2,2-dimethylpropylamino)-6-[(1-methylpiperidin-3-yl)methoxy]quinazoline-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-6-[(1-methylpiperidin-3-yl)methoxy]quinazoline-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-6-[(1-methyl-3-piperidyl)methoxy]quinazoline-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-6-[(1-methyl-3-piperidinyl)methoxy]-2-quinazolinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-6-[(1-methylpiperidin-3-yl)methoxy]quinazoline-2-carbonitrile Traditional Name: 6-[(1-methyl-3-piperidyl)methoxy]-4-(neopentylamino)quinazoline-2-carbonitrile Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC2=C1C=C(C=C2)OCC3CCCN(C3)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC2=C1C=C(C=C2)OCC3CCCN(C3)C)C#N

InChI

InChI=1S/C21H29N5O/c1-21(2,3)14-23-20-17-10-16(7-8-18(17)24-19(11-22)25-20)27-13-15-6-5-9-26(4)12-15/h7-8,10,15H,5-6,9,12-14H2,1-4H3,(H,23,24,25)