N-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H22N6O3S/c1-15-20-22(30-10-8-29(9-11-30)19-4-2-3-7-25-19)26-13-27-24(20)34-21(15)23(31)28-16-5-6-17-18(12-16)33-14-32-17/h2-7,12-13H,8-11,14H2,1H3,(H,28,31)