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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-[(2S)-butan-2-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-[(1S)-1-methylpropyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-[(2S)-butan-2-yl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-[(2S)-butan-2-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-[(1S)-1-methylpropyl]-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H22N4O3S/c1-4-11(2)24-19(25)17-12(3)16-18(22-9-23-20(16)28-17)21-8-13-5-6-14-15(7-13)27-10-26-14/h5-7,9,11H,4,8,10H2,1-3H3,(H,24,25)(H,21,22,23)/t11-/m0/s1