1-[5-methoxy-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-4-ium

Systemtic Name: 1-[5-methoxy-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-4-ium Openeye Name: 1-[5-methoxy-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-4-ium CAS Name: 1-[5-methoxy-4-(2-methyl-3-pyrazolyl)-2-pyrimidinyl]-1,4-diazepan-4-ium IUPAC Name: 1-[5-methoxy-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-4-ium Traditional Name: 1-[5-methoxy-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-4-ium Formula: C14H21N6O+ MolecularWeight: 289.35614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=NC(=NC=C2OC)N3CCC[NH2+]CC3

Isomeric SMILES

CN1C(=CC=N1)C2=NC(=NC=C2OC)N3CCC[NH2+]CC3

InChI

InChI=1S/C14H20N6O/c1-19-11(4-6-17-19)13-12(21-2)10-16-14(18-13)20-8-3-5-15-7-9-20/h4,6,10,15H,3,5,7-9H2,1-2H3/p+1