1-[4-(2-chlorophenyl)-2-pyrrolidin-1-yl-pyrimidin-5-yl]-3-(2,6-diethylphenyl)urea

Systemtic Name: 1-[4-(2-chlorophenyl)-2-pyrrolidin-1-yl-pyrimidin-5-yl]-3-(2,6-diethylphenyl)urea Openeye Name: 1-[4-(2-chlorophenyl)-2-pyrrolidin-1-yl-pyrimidin-5-yl]-3-(2,6-diethylphenyl)urea CAS Name: 1-[4-(2-chlorophenyl)-2-(1-pyrrolidinyl)-5-pyrimidinyl]-3-(2,6-diethylphenyl)urea IUPAC Name: 1-[4-(2-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2,6-diethylphenyl)urea Traditional Name: 1-[4-(2-chlorophenyl)-2-pyrrolidino-pyrimidin-5-yl]-3-(2,6-diethylphenyl)urea Formula: C25H28ClN5O MolecularWeight: 449.97572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=CN=C(N=C2C3=CC=CC=C3Cl)N4CCCC4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=CN=C(N=C2C3=CC=CC=C3Cl)N4CCCC4

InChI

InChI=1S/C25H28ClN5O/c1-3-17-10-9-11-18(4-2)22(17)30-25(32)28-21-16-27-24(31-14-7-8-15-31)29-23(21)19-12-5-6-13-20(19)26/h5-6,9-13,16H,3-4,7-8,14-15H2,1-2H3,(H2,28,30,32)