4-(azepan-1-yl)-2-methyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-(azepan-1-yl)-2-methyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(azepan-1-yl)-2-methyl-pyrimidine-5-carbaldehyde CAS Name: 4-(1-azepanyl)-2-methyl-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(azepan-1-yl)-2-methylpyrimidine-5-carbaldehyde Traditional Name: 4-(azepan-1-yl)-2-methyl-pyrimidine-5-carbaldehyde Formula: C12H17N3O MolecularWeight: 219.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N2CCCCCC2)C=O

Isomeric SMILES

CC1=NC=C(C(=N1)N2CCCCCC2)C=O

InChI

InChI=1S/C12H17N3O/c1-10-13-8-11(9-16)12(14-10)15-6-4-2-3-5-7-15/h8-9H,2-7H2,1H3