2-[4-(1,4-diazepan-1-ylmethyl)phenyl]-6-(methoxymethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,4-diazepan-1-ylmethyl)phenyl]-6-(methoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,4-diazepan-1-ylmethyl)phenyl]-6-(methoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,4-diazepan-1-ylmethyl)phenyl]-6-(methoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,4-diazepan-1-ylmethyl)phenyl]-6-(methoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(1,4-diazepan-1-ylmethyl)phenyl]-6-(methoxymethyl)-1H-pyrimidin-4-one Formula: C18H24N4O2 MolecularWeight: 328.40876

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCNCC3

Isomeric SMILES

COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCNCC3

InChI

InChI=1S/C18H24N4O2/c1-24-13-16-11-17(23)21-18(20-16)15-5-3-14(4-6-15)12-22-9-2-7-19-8-10-22/h3-6,11,19H,2,7-10,12-13H2,1H3,(H,20,21,23)