2-[(4-methoxyphenyl)methylamino]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(4-methoxyphenyl)methylamino]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-[(4-methoxyphenyl)methylamino]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-[(4-methoxyphenyl)methylamino]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[(4-methoxyphenyl)methylamino]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-2-(p-anisylamino)pyrimidine-5-carboxamide Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=C(C=N2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=C(C=N2)C(=O)NC3CCCCNC3=O

InChI

InChI=1S/C19H23N5O3/c1-27-15-7-5-13(6-8-15)10-21-19-22-11-14(12-23-19)17(25)24-16-4-2-3-9-20-18(16)26/h5-8,11-12,16H,2-4,9-10H2,1H3,(H,20,26)(H,24,25)(H,21,22,23)