1-(4-chlorophenyl)-3-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]urea Openeye Name: 1-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)-3-(4-chlorophenyl)urea CAS Name: 1-(4-chlorophenyl)-3-[9-(phenylmethyl)-8-(1-pyrazolyl)-6-purinyl]urea IUPAC Name: 1-(9-benzyl-8-pyrazol-1-ylpurin-6-yl)-3-(4-chlorophenyl)urea Traditional Name: 1-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)-3-(4-chlorophenyl)urea Formula: C22H17ClN8O MolecularWeight: 444.87638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC(=O)NC4=CC=C(C=C4)Cl)N=C2N5C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC(=O)NC4=CC=C(C=C4)Cl)N=C2N5C=CC=N5

InChI

InChI=1S/C22H17ClN8O/c23-16-7-9-17(10-8-16)27-21(32)29-19-18-20(25-14-24-19)30(13-15-5-2-1-3-6-15)22(28-18)31-12-4-11-26-31/h1-12,14H,13H2,(H2,24,25,27,29,32)