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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-yl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(1-piperidyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-(1-piperidinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone Traditional Name: [5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidino-methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5

InChI

InChI=1S/C21H22N4O3S/c1-13-17-19(22-10-14-5-6-15-16(9-14)28-12-27-15)23-11-24-20(17)29-18(13)21(26)25-7-3-2-4-8-25/h5-6,9,11H,2-4,7-8,10,12H2,1H3,(H,22,23,24)