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

Systemtic Name: N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[5-cyclopropyl-2-(3-pyridylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[5-cyclopropyl-2-(3-pyridinylamino)-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[5-cyclopropyl-2-(3-pyridylamino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6OS/c27-19(17-5-2-11-28-17)23-10-3-9-22-18-16(14-6-7-14)13-24-20(26-18)25-15-4-1-8-21-12-15/h1-2,4-5,8,11-14H,3,6-7,9-10H2,(H,23,27)(H2,22,24,25,26)