2-[4-(azocan-1-ylmethyl)phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(azocan-1-ylmethyl)phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(azocan-1-ylmethyl)phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1-azocanylmethyl)phenyl]-6-(3-methyl-2-pyrazinyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(azocan-1-ylmethyl)phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(azocan-1-ylmethyl)phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN=C1C2=CC(=O)N=C(N2)C3=CC=C(C=C3)CN4CCCCCCC4

Isomeric SMILES

CC1=NC=CN=C1C2=CC(=O)N=C(N2)C3=CC=C(C=C3)CN4CCCCCCC4

InChI

InChI=1S/C23H27N5O/c1-17-22(25-12-11-24-17)20-15-21(29)27-23(26-20)19-9-7-18(8-10-19)16-28-13-5-3-2-4-6-14-28/h7-12,15H,2-6,13-14,16H2,1H3,(H,26,27,29)