5-[[4-(azepan-4-yl)quinazolin-2-yl]amino]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

Systemtic Name: 5-[[4-(azepan-4-yl)quinazolin-2-yl]amino]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide Openeye Name: 5-[[4-(azepan-4-yl)quinazolin-2-yl]amino]-2-pyrrolidin-1-yl-thiazole-4-carboxamide CAS Name: 5-[[4-(4-azepanyl)-2-quinazolinyl]amino]-2-(1-pyrrolidinyl)-4-thiazolecarboxamide IUPAC Name: 5-[[4-(azepan-4-yl)quinazolin-2-yl]amino]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide Traditional Name: 5-[[4-(azepan-4-yl)quinazolin-2-yl]amino]-2-pyrrolidino-thiazole-4-carboxamide Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=C(S2)NC3=NC4=CC=CC=C4C(=N3)C5CCCNCC5)C(=O)N

Isomeric SMILES

C1CCN(C1)C2=NC(=C(S2)NC3=NC4=CC=CC=C4C(=N3)C5CCCNCC5)C(=O)N

InChI

InChI=1S/C22H27N7OS/c23-19(30)18-20(31-22(27-18)29-12-3-4-13-29)28-21-25-16-8-2-1-7-15(16)17(26-21)14-6-5-10-24-11-9-14/h1-2,7-8,14,24H,3-6,9-13H2,(H2,23,30)(H,25,26,28)