N-[3-[[5-cyclopropyl-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[5-cyclopropyl-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[5-cyclopropyl-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[5-cyclopropyl-2-(3-hydroxyanilino)-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[5-cyclopropyl-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[5-cyclopropyl-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC(=CC=C4)O

Isomeric SMILES

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC(=CC=C4)O

InChI

InChI=1S/C21H23N5O2S/c27-16-5-1-4-15(12-16)25-21-24-13-17(14-7-8-14)19(26-21)22-9-3-10-23-20(28)18-6-2-11-29-18/h1-2,4-6,11-14,27H,3,7-10H2,(H,23,28)(H2,22,24,25,26)