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

Systemtic Name: azepan-1-yl-[4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone Openeye Name: azepan-1-yl-[4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone CAS Name: 1-azepanyl-[4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: azepan-1-yl-[4-(1,3-benzodioxol-5-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone Traditional Name: azepan-1-yl-[5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)N5CCCCCC5

InChI

InChI=1S/C22H24N4O3S/c1-14-18-20(23-11-15-6-7-16-17(10-15)29-13-28-16)24-12-25-21(18)30-19(14)22(27)26-8-4-2-3-5-9-26/h6-7,10,12H,2-5,8-9,11,13H2,1H3,(H,23,24,25)