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

Systemtic Name: 4-[(2-aminophenyl)methylamino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-[(2-aminophenyl)methylamino]-2-(4-morpholinoanilino)pyrimidine-5-carboxamide CAS Name: 4-[(2-aminophenyl)methylamino]-2-[4-(4-morpholinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-[(2-aminophenyl)methylamino]-2-(4-morpholin-4-ylanilino)pyrimidine-5-carboxamide Traditional Name: 4-[(2-aminobenzyl)amino]-2-(4-morpholinoanilino)pyrimidine-5-carboxamide Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4N)C(=O)N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4N)C(=O)N

InChI

InChI=1S/C22H25N7O2/c23-19-4-2-1-3-15(19)13-25-21-18(20(24)30)14-26-22(28-21)27-16-5-7-17(8-6-16)29-9-11-31-12-10-29/h1-8,14H,9-13,23H2,(H2,24,30)(H2,25,26,27,28)