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

Systemtic Name: N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-phenyl-2-thiomorpholin-4-yl-ethanamide Openeye Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-phenyl-2-thiomorpholino-acetamide CAS Name: N-[4-[2-(3-aminoanilino)-4-pyrimidinyl]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide IUPAC Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide Traditional Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-phenyl-2-thiomorpholino-acetamide Formula: C28H28N6OS MolecularWeight: 496.62652

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)N

Isomeric SMILES

C1CSCCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)N

InChI

InChI=1S/C28H28N6OS/c29-22-7-4-8-24(19-22)32-28-30-14-13-25(33-28)20-9-11-23(12-10-20)31-27(35)26(21-5-2-1-3-6-21)34-15-17-36-18-16-34/h1-14,19,26H,15-18,29H2,(H,31,35)(H,30,32,33)