1-[(1S)-3-oxidanylidene-1-(3-phenoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea

Systemtic Name: 1-[(1S)-3-oxidanylidene-1-(3-phenoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea Openeye Name: [(1S)-3-oxo-1-(3-phenoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea CAS Name: [(1S)-3-oxo-1-(3-phenoxyphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]urea IUPAC Name: [(1S)-3-oxo-1-(3-phenoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea Traditional Name: [(1S)-3-keto-1-(3-phenoxyphenyl)-3-[4-(2-pyrimidyl)piperazino]propyl]urea Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CC(C3=CC(=CC=C3)OC4=CC=CC=C4)NC(=O)N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C[C@@H](C3=CC(=CC=C3)OC4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C24H26N6O3/c25-23(32)28-21(18-6-4-9-20(16-18)33-19-7-2-1-3-8-19)17-22(31)29-12-14-30(15-13-29)24-26-10-5-11-27-24/h1-11,16,21H,12-15,17H2,(H3,25,28,32)/t21-/m0/s1