1,4-bis[[2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methyl]-1,4-diazepane

Systemtic Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methyl]-1,4-diazepane Openeye Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methyl]-1,4-diazepane CAS Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl]methyl]-1,4-diazepane IUPAC Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methyl]-1,4-diazepane Traditional Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methyl]-1,4-diazepane Formula: C33H40N6O6 MolecularWeight: 616.7073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=N2)CN3CCCN(CC3)CC4=NC(=NC=C4)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=N2)CN3CCCN(CC3)CC4=NC(=NC=C4)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C33H40N6O6/c1-40-26-16-22(17-27(41-2)30(26)44-5)32-34-10-8-24(36-32)20-38-12-7-13-39(15-14-38)21-25-9-11-35-33(37-25)23-18-28(42-3)31(45-6)29(19-23)43-4/h8-11,16-19H,7,12-15,20-21H2,1-6H3