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

Systemtic Name: 4-[(3-chlorophenyl)methylamino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-[(3-chlorophenyl)methylamino]-2-(4-morpholinoanilino)pyrimidine-5-carboxamide CAS Name: 4-[(3-chlorophenyl)methylamino]-2-[4-(4-morpholinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chlorophenyl)methylamino]-2-(4-morpholin-4-ylanilino)pyrimidine-5-carboxamide Traditional Name: 4-[(3-chlorobenzyl)amino]-2-(4-morpholinoanilino)pyrimidine-5-carboxamide Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC(=CC=C4)Cl)C(=O)N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC(=CC=C4)Cl)C(=O)N

InChI

InChI=1S/C22H23ClN6O2/c23-16-3-1-2-15(12-16)13-25-21-19(20(24)30)14-26-22(28-21)27-17-4-6-18(7-5-17)29-8-10-31-11-9-29/h1-7,12,14H,8-11,13H2,(H2,24,30)(H2,25,26,27,28)