2-[4-(3-azabicyclo[2.2.1]heptan-3-yl)piperidin-1-yl]-4-methyl-7-methylsulfonyl-quinazoline

Systemtic Name: 2-[4-(3-azabicyclo[2.2.1]heptan-3-yl)piperidin-1-yl]-4-methyl-7-methylsulfonyl-quinazoline Openeye Name: 2-[4-(3-azabicyclo[2.2.1]heptan-3-yl)-1-piperidyl]-4-methyl-7-methylsulfonyl-quinazoline CAS Name: 2-[4-(3-azabicyclo[2.2.1]heptan-3-yl)-1-piperidinyl]-4-methyl-7-methylsulfonylquinazoline IUPAC Name: 2-[4-(3-azabicyclo[2.2.1]heptan-3-yl)piperidin-1-yl]-4-methyl-7-methylsulfonylquinazoline Traditional Name: 2-[4-(3-azabicyclo[2.2.1]heptan-3-yl)piperidino]-7-mesyl-4-methyl-quinazoline Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)N4CC5CCC4C5

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)N4CC5CCC4C5

InChI

InChI=1S/C21H28N4O2S/c1-14-19-6-5-18(28(2,26)27)12-20(19)23-21(22-14)24-9-7-16(8-10-24)25-13-15-3-4-17(25)11-15/h5-6,12,15-17H,3-4,7-11,13H2,1-2H3