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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-piperonyl-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCC3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCC3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N4O3S/c1-12-16-18(24-6-2-3-7-24)22-10-23-20(16)28-17(12)19(25)21-9-13-4-5-14-15(8-13)27-11-26-14/h4-5,8,10H,2-3,6-7,9,11H2,1H3,(H,21,25)