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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H18FN3O4S MolecularWeight: 451.470123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H18FN3O4S/c1-13-19-22(25-12-27(23(19)29)11-14-3-2-4-15(24)9-14)32-20(13)21(28)26-16-5-6-17-18(10-16)31-8-7-30-17/h2-6,9-10,12H,7-8,11H2,1H3,(H,26,28)