1,3-bis[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-diazinane

Systemtic Name: 1,3-bis[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-diazinane Openeye Name: 1,3-bis[(2,4-dimethoxyphenyl)methyl]-2-(3-pyridyl)hexahydropyrimidine CAS Name: 1,3-bis[(2,4-dimethoxyphenyl)methyl]-2-(3-pyridinyl)-1,3-diazinane IUPAC Name: 1,3-bis[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-diazinane Traditional Name: 1,3-bis(2,4-dimethoxybenzyl)-2-(3-pyridyl)hexahydropyrimidine Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCCN(C2C3=CN=CC=C3)CC4=C(C=C(C=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCCN(C2C3=CN=CC=C3)CC4=C(C=C(C=C4)OC)OC)OC

InChI

InChI=1S/C27H33N3O4/c1-31-23-10-8-21(25(15-23)33-3)18-29-13-6-14-30(27(29)20-7-5-12-28-17-20)19-22-9-11-24(32-2)16-26(22)34-4/h5,7-12,15-17,27H,6,13-14,18-19H2,1-4H3