[6-(dimethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(dimethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(dimethylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(dimethylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(dimethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(dimethylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(C)C1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H22N6O/c1-21(2)15-6-5-14(13-20-15)16(24)22-9-4-10-23(12-11-22)17-18-7-3-8-19-17/h3,5-8,13H,4,9-12H2,1-2H3