N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]phenyl]methanesulfonamide CAS Name: N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-pyrimidinyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]phenyl]methanesulfonamide Formula: C22H23N5O3S MolecularWeight: 437.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC3=NC(=NC=C3)C4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC3=NC(=NC=C3)C4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H23N5O3S/c1-30-18-6-7-20-19(13-18)16(14-25-20)8-10-23-21-9-11-24-22(26-21)15-4-3-5-17(12-15)27-31(2,28)29/h3-7,9,11-14,25,27H,8,10H2,1-2H3,(H,23,24,26)