ethanoic acid; 4-(5-iodanyl-2-methoxy-phenyl)-6-methyl-2-oxidanylidene-N-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: ethanoic acid; 4-(5-iodanyl-2-methoxy-phenyl)-6-methyl-2-oxidanylidene-N-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: acetic acid; N-benzyl-4-(5-iodo-2-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: acetic acid; 4-(5-iodo-2-methoxyphenyl)-6-methyl-2-oxo-N-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: acetic acid; N-benzyl-4-(5-iodo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: acetic acid; N-benzyl-4-(5-iodo-2-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H24IN3O5 MolecularWeight: 537.34753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)I)OC)C(=O)NCC3=CC=CC=C3.CC(=O)O

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)I)OC)C(=O)NCC3=CC=CC=C3.CC(=O)O

InChI

InChI=1S/C20H20IN3O3.C2H4O2/c1-12-17(19(25)22-11-13-6-4-3-5-7-13)18(24-20(26)23-12)15-10-14(21)8-9-16(15)27-2;1-2(3)4/h3-10,18H,11H2,1-2H3,(H,22,25)(H2,23,24,26);1H3,(H,3,4)