3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-bis(2-methylpropyl)benzamide

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-bis(2-methylpropyl)benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-diisobutyl-benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N,N-bis(2-methylpropyl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-bis(2-methylpropyl)benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-diisobutyl-benzamide Formula: C26H30N6OS MolecularWeight: 474.621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C26H30N6OS/c1-17(2)14-32(15-18(3)4)25(33)19-6-5-7-20(12-19)30-26-27-11-10-24(31-26)29-21-8-9-22-23(13-21)34-16-28-22/h5-13,16-18H,14-15H2,1-4H3,(H2,27,29,30,31)