N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxidanylidene-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxidanylidene-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-5-methyl-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NCC3COC4=CC=CC=C4O3)C

Isomeric SMILES

CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NCC3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C20H21N3O4S/c1-3-8-23-11-22-19-16(20(23)25)12(2)17(28-19)18(24)21-9-13-10-26-14-6-4-5-7-15(14)27-13/h4-7,11,13H,3,8-10H2,1-2H3,(H,21,24)