8-bromanyl-3-(phenylmethyl)-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-(phenylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-1-propyl-7H-purine-2,6-dione CAS Name: 8-bromo-3-(phenylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-1-propyl-7H-purine-2,6-dione Traditional Name: 3-benzyl-8-bromo-1-propyl-7H-purine-2,6-quinone Formula: C15H15BrN4O2 MolecularWeight: 363.2092

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)Br)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)Br)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C15H15BrN4O2/c1-2-8-19-13(21)11-12(18-14(16)17-11)20(15(19)22)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)