1-(4-ethoxyphenyl)-3-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

InChI

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