1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-3-(phenylmethyl)urea

Systemtic Name: 1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)urea CAS Name: 1-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)urea Traditional Name: 1-benzyl-3-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)urea Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)NC(=O)NCC3=CC=CC=C3)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)NC(=O)NCC3=CC=CC=C3)N4C=CC=C4)C

InChI

InChI=1S/C21H20N4OS/c1-14-12-15(2)23-19-17(14)18(25-10-6-7-11-25)20(27-19)24-21(26)22-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H2,22,24,26)