2-azanyl-4-(4-bromanylthiophen-2-yl)-5-cyclopropyl-6-[6-(dimethylamino)pyridin-3-yl]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-5-cyclopropyl-6-[6-(dimethylamino)pyridin-3-yl]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-5-cyclopropyl-6-[6-(dimethylamino)-3-pyridyl]pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-5-cyclopropyl-6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-5-cyclopropyl-6-[6-(dimethylamino)pyridin-3-yl]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-5-cyclopropyl-6-[6-(dimethylamino)-3-pyridyl]nicotinonitrile Formula: C20H18BrN5S MolecularWeight: 440.35942

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)C2=C(C(=C(C(=N2)N)C#N)C3=CC(=CS3)Br)C4CC4

Isomeric SMILES

CN(C)C1=NC=C(C=C1)C2=C(C(=C(C(=N2)N)C#N)C3=CC(=CS3)Br)C4CC4

InChI

InChI=1S/C20H18BrN5S/c1-26(2)16-6-5-12(9-24-16)19-17(11-3-4-11)18(14(8-22)20(23)25-19)15-7-13(21)10-27-15/h5-7,9-11H,3-4H2,1-2H3,(H2,23,25)