4-[(3-methoxyphenyl)methylamino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 4-[(3-methoxyphenyl)methylamino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-[(3-methoxyphenyl)methylamino]-2-(4-morpholinoanilino)pyrimidine-5-carboxamide CAS Name: 4-[(3-methoxyphenyl)methylamino]-2-[4-(4-morpholinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-methoxyphenyl)methylamino]-2-(4-morpholin-4-ylanilino)pyrimidine-5-carboxamide Traditional Name: 4-(m-anisylamino)-2-(4-morpholinoanilino)pyrimidine-5-carboxamide Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H26N6O3/c1-31-19-4-2-3-16(13-19)14-25-22-20(21(24)30)15-26-23(28-22)27-17-5-7-18(8-6-17)29-9-11-32-12-10-29/h2-8,13,15H,9-12,14H2,1H3,(H2,24,30)(H2,25,26,27,28)