N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-morpholino-N-(2-thienylmethyl)acetamide CAS Name: N-[4-[2-(3-aminoanilino)-4-pyrimidinyl]phenyl]-2-(4-morpholinyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-morpholin-4-yl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-morpholino-N-(2-thenyl)acetamide Formula: C27H28N6O2S MolecularWeight: 500.61522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)N(CC2=CC=CS2)C3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)N

Isomeric SMILES

C1COCCN1CC(=O)N(CC2=CC=CS2)C3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)N

InChI

InChI=1S/C27H28N6O2S/c28-21-3-1-4-22(17-21)30-27-29-11-10-25(31-27)20-6-8-23(9-7-20)33(18-24-5-2-16-36-24)26(34)19-32-12-14-35-15-13-32/h1-11,16-17H,12-15,18-19,28H2,(H,29,30,31)