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

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-bis(2-oxidanylpropyl)benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-bis(2-hydroxypropyl)benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N,N-bis(2-hydroxypropyl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-bis(2-hydroxypropyl)benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N,N-bis(2-hydroxypropyl)benzamide Formula: C24H26N6O3S MolecularWeight: 478.56664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O3S/c1-15(31)12-30(13-16(2)32)23(33)17-4-3-5-18(10-17)28-24-25-9-8-22(29-24)27-19-6-7-20-21(11-19)34-14-26-20/h3-11,14-16,31-32H,12-13H2,1-2H3,(H2,25,27,28,29)