2-(3-chlorophenyl)-7-(3-phenylpropyl)-3H-purin-6-one

Systemtic Name: 2-(3-chlorophenyl)-7-(3-phenylpropyl)-3H-purin-6-one Openeye Name: 2-(3-chlorophenyl)-7-(3-phenylpropyl)-3H-purin-6-one CAS Name: 2-(3-chlorophenyl)-7-(3-phenylpropyl)-3H-purin-6-one IUPAC Name: 2-(3-chlorophenyl)-7-(3-phenylpropyl)-3H-purin-6-one Traditional Name: 2-(3-chlorophenyl)-7-(3-phenylpropyl)-3H-purin-6-one Formula: C20H17ClN4O MolecularWeight: 364.82818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H17ClN4O/c21-16-10-4-9-15(12-16)18-23-19-17(20(26)24-18)25(13-22-19)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12-13H,5,8,11H2,(H,23,24,26)