N-[[5-(azepan-1-ylmethyl)furan-2-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[[5-(azepan-1-ylmethyl)furan-2-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[[5-(azepan-1-ylmethyl)-2-furyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[[5-(1-azepanylmethyl)-2-furanyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-[[5-(azepan-1-ylmethyl)furan-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[[5-(azepan-1-ylmethyl)-2-furyl]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H24N4O3S MolecularWeight: 400.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC=N2)C(=O)NCC3=CC=C(O3)CN4CCCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC=N2)C(=O)NCC3=CC=C(O3)CN4CCCCCC4

InChI

InChI=1S/C20H24N4O3S/c1-13-16-18(25)22-12-23-20(16)28-17(13)19(26)21-10-14-6-7-15(27-14)11-24-8-4-2-3-5-9-24/h6-7,12H,2-5,8-11H2,1H3,(H,21,26)(H,22,23,25)