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

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-5-methyl-4-oxidanylidene-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-5-methyl-4-oxo-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(4-iodo-2-methylphenyl)-5-methyl-4-oxo-3-propyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(4-iodo-2-methylphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-4-keto-5-methyl-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H18IN3O2S MolecularWeight: 467.32389

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=C(C=C(C=C3)I)C)C

Isomeric SMILES

CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=C(C=C(C=C3)I)C)C

InChI

InChI=1S/C18H18IN3O2S/c1-4-7-22-9-20-17-14(18(22)24)11(3)15(25-17)16(23)21-13-6-5-12(19)8-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,21,23)