N2-(4-azanylcyclohexyl)-N1-(3-bromophenyl)-N3-(4-methoxyphenyl)-1,3-diazinane-1,2,3-tricarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-bromophenyl)-N3-(4-methoxyphenyl)-1,3-diazinane-1,2,3-tricarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(3-bromophenyl)-N3-(4-methoxyphenyl)hexahydropyrimidine-1,2,3-tricarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-bromophenyl)-N3-(4-methoxyphenyl)-1,3-diazinane-1,2,3-tricarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(3-bromophenyl)-3-N-(4-methoxyphenyl)-1,3-diazinane-1,2,3-tricarboxamide Traditional Name: N2-(4-aminocyclohexyl)-N1-(3-bromophenyl)-N3-(4-methoxyphenyl)hexahydropyrimidine-1,2,3-tricarboxamide Formula: C26H33BrN6O4 MolecularWeight: 573.48202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H33BrN6O4/c1-37-22-12-10-20(11-13-22)30-25(35)32-14-3-15-33(26(36)31-21-5-2-4-17(27)16-21)24(32)23(34)29-19-8-6-18(28)7-9-19/h2,4-5,10-13,16,18-19,24H,3,6-9,14-15,28H2,1H3,(H,29,34)(H,30,35)(H,31,36)