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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H24N6O3S MolecularWeight: 488.56146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O3S/c1-15-21-23(31-11-9-30(10-12-31)20-5-3-4-8-26-20)27-16(2)28-25(21)35-22(15)24(32)29-17-6-7-18-19(13-17)34-14-33-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,32)