8-chloranyl-3-pentyl-1-phenyl-7H-purine-2,6-dione

Systemtic Name: 8-chloranyl-3-pentyl-1-phenyl-7H-purine-2,6-dione Openeye Name: 8-chloro-3-pentyl-1-phenyl-7H-purine-2,6-dione CAS Name: 8-chloro-3-pentyl-1-phenyl-7H-purine-2,6-dione IUPAC Name: 8-chloro-3-pentyl-1-phenyl-7H-purine-2,6-dione Traditional Name: 3-amyl-8-chloro-1-phenyl-7H-purine-2,6-quinone Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N(C1=O)C3=CC=CC=C3)NC(=N2)Cl

Isomeric SMILES

CCCCCN1C2=C(C(=O)N(C1=O)C3=CC=CC=C3)NC(=N2)Cl

InChI

InChI=1S/C16H17ClN4O2/c1-2-3-7-10-20-13-12(18-15(17)19-13)14(22)21(16(20)23)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,18,19)