1-(2-diethylaminoethyl)-3-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea

Systemtic Name: 1-(2-diethylaminoethyl)-3-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea Openeye Name: 1-(2-diethylaminoethyl)-3-[3-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]urea CAS Name: 1-(2-diethylaminoethyl)-3-[3-[[5-(3-thiophenyl)-2-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-(2-diethylaminoethyl)-3-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea Traditional Name: 1-(2-diethylaminoethyl)-3-[3-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]urea Formula: C21H26N6OS MolecularWeight: 410.53574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)NC1=CC=CC(=C1)NC2=NC=C(C=N2)C3=CSC=C3

Isomeric SMILES

CCN(CC)CCNC(=O)NC1=CC=CC(=C1)NC2=NC=C(C=N2)C3=CSC=C3

InChI

InChI=1S/C21H26N6OS/c1-3-27(4-2)10-9-22-21(28)26-19-7-5-6-18(12-19)25-20-23-13-17(14-24-20)16-8-11-29-15-16/h5-8,11-15H,3-4,9-10H2,1-2H3,(H2,22,26,28)(H,23,24,25)