N4-[(3-methoxyphenyl)methyl]-N6-[[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-[(3-methoxyphenyl)methyl]-N6-[[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-[(3-methoxyphenyl)methyl]-N6-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-[(3-methoxyphenyl)methyl]-N6-[[4-[oxo-(3-oxo-1-piperazinyl)methyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-[(3-methoxyphenyl)methyl]-6-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N'-[4-(3-ketopiperazine-1-carbonyl)benzyl]-N-m-anisyl-pyrimidine-4,6-dicarboxamide Formula: C26H26N6O5 MolecularWeight: 502.52184

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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)C(=O)N4CCNC(=O)C4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C26H26N6O5/c1-37-20-4-2-3-18(11-20)14-29-25(35)22-12-21(30-16-31-22)24(34)28-13-17-5-7-19(8-6-17)26(36)32-10-9-27-23(33)15-32/h2-8,11-12,16H,9-10,13-15H2,1H3,(H,27,33)(H,28,34)(H,29,35)