2-chloranyl-1,7-bis(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-1,7-bis(phenylmethyl)purin-6-one Openeye Name: 1,7-dibenzyl-2-chloro-purin-6-one CAS Name: 2-chloro-1,7-bis(phenylmethyl)-6-purinone IUPAC Name: 1,7-dibenzyl-2-chloropurin-6-one Traditional Name: 1,7-dibenzyl-2-chloro-purin-6-one Formula: C19H15ClN4O MolecularWeight: 350.8016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=N3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=N3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4O/c20-19-22-17-16(18(25)24(19)12-15-9-5-2-6-10-15)23(13-21-17)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2