4-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-N-methyl-benzamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-N-methyl-benzamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-N-methyl-benzamide CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-thieno[3,2-d]pyrimidinyl]-N-methylbenzamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-N-methylbenzamide Traditional Name: N-methyl-4-[4-(piperonylamino)thieno[3,2-d]pyrimidin-6-yl]benzamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O3S/c1-23-22(27)15-5-3-14(4-6-15)19-9-16-20(30-19)21(26-11-25-16)24-10-13-2-7-17-18(8-13)29-12-28-17/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,25,26)