6-methyl-2-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[4-[[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[4-[[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O/c1-16-14-19(28)25-20(24-16)18-6-4-17(5-7-18)15-26-10-3-11-27(13-12-26)21-22-8-2-9-23-21/h2,4-9,14H,3,10-13,15H2,1H3,(H,24,25,28)