8-(3-bromanyl-4-prop-2-enoxy-phenyl)-3-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-4-prop-2-enoxy-phenyl)-3-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 8-(4-allyloxy-3-bromo-phenyl)-3-benzyl-7H-purine-2,6-dione CAS Name: 8-(3-bromo-4-prop-2-enoxyphenyl)-3-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-bromo-4-prop-2-enoxyphenyl)-7H-purine-2,6-dione Traditional Name: 8-(4-allyloxy-3-bromo-phenyl)-3-benzyl-7H-purine-2,6-quinone Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C2=NC3=C(N2)C(=O)NC(=O)N3CC4=CC=CC=C4)Br

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)C2=NC3=C(N2)C(=O)NC(=O)N3CC4=CC=CC=C4)Br

InChI

InChI=1S/C21H17BrN4O3/c1-2-10-29-16-9-8-14(11-15(16)22)18-23-17-19(24-18)26(21(28)25-20(17)27)12-13-6-4-3-5-7-13/h2-9,11H,1,10,12H2,(H,23,24)(H,25,27,28)