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

Systemtic Name: 4-[(3-chloranylthiophen-2-yl)methylamino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-2-thienyl)methylamino]-2-(4-morpholinoanilino)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-2-thiophenyl)methylamino]-2-[4-(4-morpholinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chlorothiophen-2-yl)methylamino]-2-(4-morpholin-4-ylanilino)pyrimidine-5-carboxamide Traditional Name: 4-[(3-chloro-2-thienyl)methylamino]-2-(4-morpholinoanilino)pyrimidine-5-carboxamide Formula: C20H21ClN6O2S MolecularWeight: 444.93774

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=C(C=CS4)Cl)C(=O)N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=C(C=CS4)Cl)C(=O)N

InChI

InChI=1S/C20H21ClN6O2S/c21-16-5-10-30-17(16)12-23-19-15(18(22)28)11-24-20(26-19)25-13-1-3-14(4-2-13)27-6-8-29-9-7-27/h1-5,10-11H,6-9,12H2,(H2,22,28)(H2,23,24,25,26)