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

Systemtic Name: N-butan-2-yl-3-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-5-methyl-4-oxo-N-sec-butyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butan-2-yl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butan-2-yl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-4-keto-5-methyl-N-sec-butyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)C)Cl)C

Isomeric SMILES

CCC(C)NC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)C)Cl)C

InChI

InChI=1S/C21H23ClN4O3S/c1-5-12(3)24-19(28)18-13(4)17-20(30-18)23-10-26(21(17)29)9-16(27)25-14-7-6-11(2)15(22)8-14/h6-8,10,12H,5,9H2,1-4H3,(H,24,28)(H,25,27)