3-[[4-[(5-methoxy-2-methyl-phenyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[(5-methoxy-2-methyl-phenyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(5-methoxy-2-methyl-anilino)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-(5-methoxy-2-methylanilino)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-(5-methoxy-2-methyl-anilino)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H19N5O3S MolecularWeight: 385.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC)NC2=NC(=NC=C2)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)OC)NC2=NC(=NC=C2)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C18H19N5O3S/c1-12-6-7-14(26-2)11-16(12)22-17-8-9-20-18(23-17)21-13-4-3-5-15(10-13)27(19,24)25/h3-11H,1-2H3,(H2,19,24,25)(H2,20,21,22,23)