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

Systemtic Name: 4-(2-ethoxy-5-iodanyl-phenyl)-6-methyl-2-oxidanylidene-N-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(2-ethoxy-5-iodo-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(2-ethoxy-5-iodophenyl)-6-methyl-2-oxo-N-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-benzyl-4-(2-ethoxy-5-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(2-ethoxy-5-iodo-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22IN3O3 MolecularWeight: 491.32215

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)I)C2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)I)C2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22IN3O3/c1-3-28-17-10-9-15(22)11-16(17)19-18(13(2)24-21(27)25-19)20(26)23-12-14-7-5-4-6-8-14/h4-11,19H,3,12H2,1-2H3,(H,23,26)(H2,24,25,27)