1-(4-methyl-1-pyrimidin-2-yl-6,7-dihydro-5H-1,4-diazepin-2-yl)propan-1-one

Systemtic Name: 1-(4-methyl-1-pyrimidin-2-yl-6,7-dihydro-5H-1,4-diazepin-2-yl)propan-1-one Openeye Name: 1-(4-methyl-1-pyrimidin-2-yl-6,7-dihydro-5H-1,4-diazepin-2-yl)propan-1-one CAS Name: 1-[4-methyl-1-(2-pyrimidinyl)-6,7-dihydro-5H-1,4-diazepin-2-yl]-1-propanone IUPAC Name: 1-(4-methyl-1-pyrimidin-2-yl-6,7-dihydro-5H-1,4-diazepin-2-yl)propan-1-one Traditional Name: 1-[4-methyl-1-(2-pyrimidyl)-6,7-dihydro-5H-1,4-diazepin-2-yl]propan-1-one Formula: C13H18N4O MolecularWeight: 246.30822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN(CCCN1C2=NC=CC=N2)C

Isomeric SMILES

CCC(=O)C1=CN(CCCN1C2=NC=CC=N2)C

InChI

InChI=1S/C13H18N4O/c1-3-12(18)11-10-16(2)8-5-9-17(11)13-14-6-4-7-15-13/h4,6-7,10H,3,5,8-9H2,1-2H3