N-(2-oxidanylideneazepan-3-yl)-2-[(4-propan-2-yloxyphenyl)methoxy]pyrimidine-5-carboxamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2-[(4-propan-2-yloxyphenyl)methoxy]pyrimidine-5-carboxamide Openeye Name: 2-[(4-isopropoxyphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: N-(2-oxo-3-azepanyl)-2-[(4-propan-2-yloxyphenyl)methoxy]-5-pyrimidinecarboxamide IUPAC Name: N-(2-oxoazepan-3-yl)-2-[(4-propan-2-yloxyphenyl)methoxy]pyrimidine-5-carboxamide Traditional Name: 2-(4-isopropoxybenzyl)oxy-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)COC2=NC=C(C=N2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)COC2=NC=C(C=N2)C(=O)NC3CCCCNC3=O

InChI

InChI=1S/C21H26N4O4/c1-14(2)29-17-8-6-15(7-9-17)13-28-21-23-11-16(12-24-21)19(26)25-18-5-3-4-10-22-20(18)27/h6-9,11-12,14,18H,3-5,10,13H2,1-2H3,(H,22,27)(H,25,26)