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

Systemtic Name: N-[3-[[2-[(3-aminophenyl)amino]-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-(3-aminoanilino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-(3-aminoanilino)-5-cyclopropyl-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-(3-aminoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-(3-aminoanilino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6OS/c22-15-4-1-5-16(12-15)26-21-25-13-17(14-7-8-14)19(27-21)23-9-3-10-24-20(28)18-6-2-11-29-18/h1-2,4-6,11-14H,3,7-10,22H2,(H,24,28)(H2,23,25,26,27)