2-[(4-morpholin-4-ylphenyl)amino]-4-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[(4-morpholin-4-ylphenyl)amino]-4-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide Openeye Name: 2-(4-morpholinoanilino)-4-(2-thienylmethylamino)pyrimidine-5-carboxamide CAS Name: 2-[4-(4-morpholinyl)anilino]-4-(thiophen-2-ylmethylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-(4-morpholin-4-ylanilino)-4-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide Traditional Name: 2-(4-morpholinoanilino)-4-(2-thenylamino)pyrimidine-5-carboxamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2S/c21-18(27)17-13-23-20(25-19(17)22-12-16-2-1-11-29-16)24-14-3-5-15(6-4-14)26-7-9-28-10-8-26/h1-6,11,13H,7-10,12H2,(H2,21,27)(H2,22,23,24,25)