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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-benzyl-N-(3-chloro-2-methyl-phenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-benzyl-N-(3-chloro-2-methylphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-benzyl-N-(3-chloro-2-methyl-phenyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H18ClN3O2S/c1-13-16(23)9-6-10-17(13)25-20(27)19-14(2)18-21(29-19)24-12-26(22(18)28)11-15-7-4-3-5-8-15/h3-10,12H,11H2,1-2H3,(H,25,27)