(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4)N5C=CC=C5)C

InChI

InChI=1S/C22H22N6OS/c1-15-14-16(2)25-20-17(15)18(26-8-3-4-9-26)19(30-20)21(29)27-10-12-28(13-11-27)22-23-6-5-7-24-22/h3-9,14H,10-13H2,1-2H3