4-(azepan-1-yl)-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[(E)-3-(4-dimethylaminophenyl)allyl]-N-(3-piperidyl)-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N-(3-piperidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-[(E)-3-[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]prop-1-enyl]phenyl]-dimethyl-amine Formula: C26H40N6 MolecularWeight: 436.636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CCN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

InChI

InChI=1S/C26H40N6/c1-30(2)24-13-11-22(12-14-24)9-8-20-32-25(31-18-5-3-4-6-19-31)15-17-28-26(32)29-23-10-7-16-27-21-23/h8-9,11-15,17,23,25,27H,3-7,10,16,18-21H2,1-2H3,(H,28,29)/b9-8+