N-[4-[4-(1H-indazol-3-ylamino)-6-(propoxymethyl)pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-(1H-indazol-3-ylamino)-6-(propoxymethyl)pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(1H-indazol-3-ylamino)-6-(propoxymethyl)pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(1H-indazol-3-ylamino)-6-(propoxymethyl)-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(1H-indazol-3-ylamino)-6-(propoxymethyl)pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(1H-indazol-3-ylamino)-6-(propoxymethyl)pyrimidin-2-yl]thio]phenyl]propionamide Formula: C24H26N6O2S MolecularWeight: 462.56724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC)NC3=NNC4=CC=CC=C43

Isomeric SMILES

CCCOCC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC)NC3=NNC4=CC=CC=C43

InChI

InChI=1S/C24H26N6O2S/c1-3-13-32-15-17-14-21(27-23-19-7-5-6-8-20(19)29-30-23)28-24(26-17)33-18-11-9-16(10-12-18)25-22(31)4-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)