N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-thiomorpholin-4-yl-ethanamide

Systemtic Name: N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-thiomorpholin-4-yl-ethanamide Openeye Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-thiomorpholino-acetamide CAS Name: N-[4-[2-(3-aminoanilino)-4-pyrimidinyl]phenyl]-2-thiomorpholin-4-ylacetamide IUPAC Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-thiomorpholin-4-ylacetamide Traditional Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-thiomorpholino-acetamide Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)N

Isomeric SMILES

C1CSCCN1CC(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)N

InChI

InChI=1S/C22H24N6OS/c23-17-2-1-3-19(14-17)26-22-24-9-8-20(27-22)16-4-6-18(7-5-16)25-21(29)15-28-10-12-30-13-11-28/h1-9,14H,10-13,15,23H2,(H,25,29)(H,24,26,27)