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

Systemtic Name: azocan-1-yl-[4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone Openeye Name: azocan-1-yl-[4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone CAS Name: 1-azocanyl-[4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: azocan-1-yl-[4-(1,3-benzodioxol-5-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone Traditional Name: azocan-1-yl-[5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)N5CCCCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)N5CCCCCCC5

InChI

InChI=1S/C23H26N4O3S/c1-15-19-21(24-12-16-7-8-17-18(11-16)30-14-29-17)25-13-26-22(19)31-20(15)23(28)27-9-5-3-2-4-6-10-27/h7-8,11,13H,2-6,9-10,12,14H2,1H3,(H,24,25,26)