5-methyl-N-(2-methylphenyl)-3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-(2-methylphenyl)-3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[2-(isobutylamino)-2-oxo-ethyl]-5-methyl-N-(o-tolyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-(2-methylphenyl)-3-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-(2-methylphenyl)-3-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-[2-(isobutylamino)-2-keto-ethyl]-4-keto-5-methyl-N-(o-tolyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)NCC(C)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)NCC(C)C)C

InChI

InChI=1S/C21H24N4O3S/c1-12(2)9-22-16(26)10-25-11-23-20-17(21(25)28)14(4)18(29-20)19(27)24-15-8-6-5-7-13(15)3/h5-8,11-12H,9-10H2,1-4H3,(H,22,26)(H,24,27)