1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]azepan-2-one

Systemtic Name: 1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]azepan-2-one Openeye Name: 1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]azepan-2-one CAS Name: 1-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-2-azepanone IUPAC Name: 1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]azepan-2-one Traditional Name: 1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]azepan-2-one Formula: C16H25N5O MolecularWeight: 303.4026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)NC2=NC=CC(=N2)C3CCCNCC3

Isomeric SMILES

C1CCC(=O)N(CC1)NC2=NC=CC(=N2)C3CCCNCC3

InChI

InChI=1S/C16H25N5O/c22-15-6-2-1-3-12-21(15)20-16-18-11-8-14(19-16)13-5-4-9-17-10-7-13/h8,11,13,17H,1-7,9-10,12H2,(H,18,19,20)