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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-methyl-4-oxo-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-methyl-4-oxo-N-phenyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-keto-5-methyl-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-15-18-21(30-19(15)20(28)24-16-9-5-4-6-10-16)23-14-26(22(18)29)13-17(27)25-11-7-2-3-8-12-25/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,24,28)