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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-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(=O)NC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C25H24N6O3S/c1-16-21-23(31-10-8-30(9-11-31)20-4-2-3-7-26-20)27-15-28-25(21)35-22(16)24(32)29-17-5-6-18-19(14-17)34-13-12-33-18/h2-7,14-15H,8-13H2,1H3,(H,29,32)