N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-6-keto-1H-pyridine-3-carboxamide Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C18H23N5O3/c24-16-6-5-14(12-20-16)18(25)19-7-10-26-17-11-15(21-13-22-17)23-8-3-1-2-4-9-23/h5-6,11-13H,1-4,7-10H2,(H,19,25)(H,20,24)