4-(azepan-1-yl)-3-[(E)-but-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[(E)-but-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[(E)-but-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[(E)-but-2-enyl]-N-(3-pyrrolidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[(E)-but-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-[(E)-but-2-enyl]-4H-pyrimidin-2-yl]-pyrrolidin-3-yl-amine Formula: C18H31N5 MolecularWeight: 317.47224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(C=CN=C1NC2CCNC2)N3CCCCCC3

Isomeric SMILES

C/C=C/CN1C(C=CN=C1NC2CCNC2)N3CCCCCC3

InChI

InChI=1S/C18H31N5/c1-2-3-14-23-17(22-12-6-4-5-7-13-22)9-11-20-18(23)21-16-8-10-19-15-16/h2-3,9,11,16-17,19H,4-8,10,12-15H2,1H3,(H,20,21)/b3-2+