N-[6-[2-[3-(dimethylamino)propylamino]-4-oxidanylidene-1H-pyrimidin-6-yl]-1H-benzimidazol-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[2-[3-(dimethylamino)propylamino]-4-oxidanylidene-1H-pyrimidin-6-yl]-1H-benzimidazol-2-yl]thiophene-2-carboxamide Openeye Name: N-[6-[2-[3-(dimethylamino)propylamino]-4-oxo-1H-pyrimidin-6-yl]-1H-benzimidazol-2-yl]thiophene-2-carboxamide CAS Name: N-[6-[2-[3-(dimethylamino)propylamino]-4-oxo-1H-pyrimidin-6-yl]-1H-benzimidazol-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-[2-[3-(dimethylamino)propylamino]-4-oxo-1H-pyrimidin-6-yl]-1H-benzimidazol-2-yl]thiophene-2-carboxamide Traditional Name: N-[6-[2-[3-(dimethylamino)propylamino]-4-keto-1H-pyrimidin-6-yl]-1H-benzimidazol-2-yl]thiophene-2-carboxamide Formula: C21H23N7O2S MolecularWeight: 437.51802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=O)C=C(N1)C2=CC3=C(C=C2)N=C(N3)NC(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCCNC1=NC(=O)C=C(N1)C2=CC3=C(C=C2)N=C(N3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N7O2S/c1-28(2)9-4-8-22-20-24-15(12-18(29)26-20)13-6-7-14-16(11-13)25-21(23-14)27-19(30)17-5-3-10-31-17/h3,5-7,10-12H,4,8-9H2,1-2H3,(H2,22,24,26,29)(H2,23,25,27,30)