N4-[(3-methoxyphenyl)methyl]-N6-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-[(3-methoxyphenyl)methyl]-N6-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-[(3-methoxyphenyl)methyl]-N6-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-[(3-methoxyphenyl)methyl]-N6-[[4-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-[(3-methoxyphenyl)methyl]-6-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-m-anisyl-N'-[4-(2-pyrrolidinoethylcarbamoyl)benzyl]pyrimidine-4,6-dicarboxamide Formula: C28H32N6O4 MolecularWeight: 516.59148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NCCN4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NCCN4CCCC4

InChI

InChI=1S/C28H32N6O4/c1-38-23-6-4-5-21(15-23)18-31-28(37)25-16-24(32-19-33-25)27(36)30-17-20-7-9-22(10-8-20)26(35)29-11-14-34-12-2-3-13-34/h4-10,15-16,19H,2-3,11-14,17-18H2,1H3,(H,29,35)(H,30,36)(H,31,37)