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

Systemtic Name: N-[3-[[2-[(3-aminocarbonylphenyl)amino]-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-(3-carbamoylanilino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-(3-carbamoylanilino)-5-cyclopropyl-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-(3-carbamoylanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-(3-carbamoylanilino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O2S/c23-19(29)15-4-1-5-16(12-15)27-22-26-13-17(14-7-8-14)20(28-22)24-9-3-10-25-21(30)18-6-2-11-31-18/h1-2,4-6,11-14H,3,7-10H2,(H2,23,29)(H,25,30)(H2,24,26,27,28)