4-(1H-indol-3-yl)-N-(3-methyl-4-thiomorpholin-4-yl-phenyl)pyrimidin-2-amine

Systemtic Name: 4-(1H-indol-3-yl)-N-(3-methyl-4-thiomorpholin-4-yl-phenyl)pyrimidin-2-amine Openeye Name: 4-(1H-indol-3-yl)-N-(3-methyl-4-thiomorpholino-phenyl)pyrimidin-2-amine CAS Name: 4-(1H-indol-3-yl)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)-2-pyrimidinamine IUPAC Name: 4-(1H-indol-3-yl)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyrimidin-2-amine Traditional Name: [4-(1H-indol-3-yl)pyrimidin-2-yl]-(3-methyl-4-thiomorpholino-phenyl)amine Formula: C23H23N5S MolecularWeight: 401.52722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)N5CCSCC5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)N5CCSCC5

InChI

InChI=1S/C23H23N5S/c1-16-14-17(6-7-22(16)28-10-12-29-13-11-28)26-23-24-9-8-21(27-23)19-15-25-20-5-3-2-4-18(19)20/h2-9,14-15,25H,10-13H2,1H3,(H,24,26,27)