1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-phenyl]urea

Systemtic Name: 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-phenyl]urea Openeye Name: 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-phenyl]urea CAS Name: 1-[4-[(2-amino-4-pyrimidinyl)oxy]phenyl]-3-[4-[(4-ethyl-1-piperazinyl)methyl]-3-methylphenyl]urea IUPAC Name: 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]urea Traditional Name: 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazino)methyl]-3-methyl-phenyl]urea Formula: C25H31N7O2 MolecularWeight: 461.55934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C

InChI

InChI=1S/C25H31N7O2/c1-3-31-12-14-32(15-13-31)17-19-4-5-21(16-18(19)2)29-25(33)28-20-6-8-22(9-7-20)34-23-10-11-27-24(26)30-23/h4-11,16H,3,12-15,17H2,1-2H3,(H2,26,27,30)(H2,28,29,33)