N4-[(3-methoxyphenyl)methyl]-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-[(3-methoxyphenyl)methyl]-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-[(3-methoxyphenyl)methyl]-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-[(3-methoxyphenyl)methyl]-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-[(3-methoxyphenyl)methyl]-6-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-m-anisyl-N'-(4-mesylbenzyl)pyrimidine-4,6-dicarboxamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22N4O5S/c1-31-17-5-3-4-16(10-17)13-24-22(28)20-11-19(25-14-26-20)21(27)23-12-15-6-8-18(9-7-15)32(2,29)30/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28)