N-[3-[[2-(1,3-benzothiazol-6-ylamino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[2-(1,3-benzothiazol-6-ylamino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-(1,3-benzothiazol-6-ylamino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-(1,3-benzothiazol-6-ylamino)-5-cyclopropyl-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-(1,3-benzothiazol-6-ylamino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-(1,3-benzothiazol-6-ylamino)-5-cyclopropyl-pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Formula: C22H22N6OS2 MolecularWeight: 450.57968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H22N6OS2/c29-21(18-3-1-10-30-18)24-9-2-8-23-20-16(14-4-5-14)12-25-22(28-20)27-15-6-7-17-19(11-15)31-13-26-17/h1,3,6-7,10-14H,2,4-5,8-9H2,(H,24,29)(H2,23,25,27,28)