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

Systemtic Name: N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-morpholin-4-yl-N-(phenylmethyl)ethanamide Openeye Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-N-benzyl-2-morpholino-acetamide CAS Name: N-[4-[2-(3-aminoanilino)-4-pyrimidinyl]phenyl]-2-(4-morpholinyl)-N-(phenylmethyl)acetamide IUPAC Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-N-benzyl-2-morpholin-4-ylacetamide Traditional Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-N-benzyl-2-morpholino-acetamide Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)N

Isomeric SMILES

C1COCCN1CC(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)N

InChI

InChI=1S/C29H30N6O2/c30-24-7-4-8-25(19-24)32-29-31-14-13-27(33-29)23-9-11-26(12-10-23)35(20-22-5-2-1-3-6-22)28(36)21-34-15-17-37-18-16-34/h1-14,19H,15-18,20-21,30H2,(H,31,32,33)