4-[(3,4-dimethoxyphenyl)amino]-N-(3-morpholin-4-ylpropyl)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)amino]-N-(3-morpholin-4-ylpropyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dimethoxyanilino)-N-(3-morpholinopropyl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(3,4-dimethoxyanilino)-N-[3-(4-morpholinyl)propyl]-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-(3,4-dimethoxyanilino)-N-(3-morpholinopropyl)-2-phenyl-pyrimidine-5-carboxamide Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2C(=O)NCCCN3CCOCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2C(=O)NCCCN3CCOCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H31N5O4/c1-33-22-10-9-20(17-23(22)34-2)29-25-21(18-28-24(30-25)19-7-4-3-5-8-19)26(32)27-11-6-12-31-13-15-35-16-14-31/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,27,32)(H,28,29,30)