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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O3S/c1-16-21-23(30-11-9-29(10-12-30)18-5-3-2-4-6-18)26-14-27-25(21)34-22(16)24(31)28-17-7-8-19-20(13-17)33-15-32-19/h2-8,13-14H,9-12,15H2,1H3,(H,28,31)