azepan-1-yl-[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]methanone

Systemtic Name: azepan-1-yl-[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]methanone Openeye Name: azepan-1-yl-[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]methanone CAS Name: 1-azepanyl-[3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]phenyl]methanone IUPAC Name: azepan-1-yl-[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]methanone Traditional Name: azepan-1-yl-[3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]phenyl]methanone Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C24H24N6OS/c31-23(30-12-3-1-2-4-13-30)17-6-5-7-18(14-17)28-24-25-11-10-22(29-24)27-19-8-9-20-21(15-19)32-16-26-20/h5-11,14-16H,1-4,12-13H2,(H2,25,27,28,29)