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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-ethoxyethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-ethoxyethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-ethoxyethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-ethoxyethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-ethoxyethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NCC3COC4=CC=CC=C4O3)C

Isomeric SMILES

CCOCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NCC3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H23N3O5S/c1-3-27-9-8-24-12-23-20-17(21(24)26)13(2)18(30-20)19(25)22-10-14-11-28-15-6-4-5-7-16(15)29-14/h4-7,12,14H,3,8-11H2,1-2H3,(H,22,25)