8-bromanyl-1,3-dimethyl-7H-purine-2,6-dione; (4-methoxyphenyl)methanamine

Systemtic Name: 8-bromanyl-1,3-dimethyl-7H-purine-2,6-dione; (4-methoxyphenyl)methanamine Openeye Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; (4-methoxyphenyl)methanamine CAS Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; (4-methoxyphenyl)methanamine IUPAC Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; (4-methoxyphenyl)methanamine Traditional Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-quinone; p-anisylamine Formula: C15H18BrN5O3 MolecularWeight: 396.23912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br.COC1=CC=C(C=C1)CN

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br.COC1=CC=C(C=C1)CN

InChI

InChI=1S/C8H11NO.C7H7BrN4O2/c1-10-8-4-2-7(6-9)3-5-8;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-5H,6,9H2,1H3;1-2H3,(H,9,10)