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

Systemtic Name: [6-(butylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(butylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(butylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(butylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(butylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C19H26N6O MolecularWeight: 354.44934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCNC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H26N6O/c1-2-3-8-20-17-7-6-16(15-23-17)18(26)24-11-5-12-25(14-13-24)19-21-9-4-10-22-19/h4,6-7,9-10,15H,2-3,5,8,11-14H2,1H3,(H,20,23)