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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-(4-propyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-piperonyl-4-(4-propylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H27N5O3S/c1-3-6-27-7-9-28(10-8-27)21-19-15(2)20(32-23(19)26-13-25-21)22(29)24-12-16-4-5-17-18(11-16)31-14-30-17/h4-5,11,13H,3,6-10,12,14H2,1-2H3,(H,24,29)