N-[3-[[5-cyclopropyl-2-(isoquinolin-6-ylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[5-cyclopropyl-2-(isoquinolin-6-ylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[5-cyclopropyl-2-(6-isoquinolylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[5-cyclopropyl-2-(6-isoquinolinylamino)-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[5-cyclopropyl-2-(isoquinolin-6-ylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[5-cyclopropyl-2-(6-isoquinolylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C24H24N6OS/c31-23(21-3-1-12-32-21)27-10-2-9-26-22-20(16-4-5-16)15-28-24(30-22)29-19-7-6-18-14-25-11-8-17(18)13-19/h1,3,6-8,11-16H,2,4-5,9-10H2,(H,27,31)(H2,26,28,29,30)