4-(2-iodanyl-4-methoxy-3-oxidanyl-phenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(2-iodanyl-4-methoxy-3-oxidanyl-phenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(3-hydroxy-2-iodo-4-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-hydroxy-2-iodo-4-methoxyphenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-benzyl-4-(3-hydroxy-2-iodo-4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(3-hydroxy-2-iodo-4-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20IN3O3S MolecularWeight: 509.36057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20IN3O3S/c1-11-15(19(26)22-10-12-6-4-3-5-7-12)17(24-20(28)23-11)13-8-9-14(27-2)18(25)16(13)21/h3-9,17,25H,10H2,1-2H3,(H,22,26)(H2,23,24,28)