(2Z)-2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]methylidene]butanamide

Systemtic Name: (2Z)-2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]methylidene]butanamide Openeye Name: (2Z)-2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]methylene]butanamide CAS Name: (2Z)-2-[[[4-(4-azepanyl)-2-pyrimidinyl]amino]methylidene]butanamide IUPAC Name: (2Z)-2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]methylidene]butanamide Traditional Name: (Z)-3-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-ethyl-acrylamide Formula: C15H23N5O MolecularWeight: 289.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CNC1=NC=CC(=N1)C2CCCNCC2)C(=O)N

Isomeric SMILES

CC/C(=C/NC1=NC=CC(=N1)C2CCCNCC2)/C(=O)N

InChI

InChI=1S/C15H23N5O/c1-2-11(14(16)21)10-19-15-18-9-6-13(20-15)12-4-3-7-17-8-5-12/h6,9-10,12,17H,2-5,7-8H2,1H3,(H2,16,21)(H,18,19,20)/b11-10-