1-(2-methoxy-5-methyl-phenyl)-3-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]urea

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-3-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]urea Openeye Name: 1-(2-methoxy-5-methyl-phenyl)-3-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]urea CAS Name: 1-(2-methoxy-5-methylphenyl)-3-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]urea IUPAC Name: 1-(2-methoxy-5-methylphenyl)-3-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]urea Traditional Name: 1-(2-methoxy-5-methyl-phenyl)-3-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]urea Formula: C20H28N6O3 MolecularWeight: 400.47472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

InChI

InChI=1S/C20H28N6O3/c1-15-4-5-17(28-3)16(12-15)24-20(27)21-6-11-29-19-13-18(22-14-23-19)26-9-7-25(2)8-10-26/h4-5,12-14H,6-11H2,1-3H3,(H2,21,24,27)