2-chloranyl-1-ethyl-8,9-bis(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-1-ethyl-8,9-bis(phenylmethyl)purin-6-one Openeye Name: 8,9-dibenzyl-2-chloro-1-ethyl-purin-6-one CAS Name: 2-chloro-1-ethyl-8,9-bis(phenylmethyl)-6-purinone IUPAC Name: 8,9-dibenzyl-2-chloro-1-ethylpurin-6-one Traditional Name: 8,9-dibenzyl-2-chloro-1-ethyl-purin-6-one Formula: C21H19ClN4O MolecularWeight: 378.85476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1Cl)N(C(=N2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1Cl)N(C(=N2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O/c1-2-25-20(27)18-19(24-21(25)22)26(14-16-11-7-4-8-12-16)17(23-18)13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3