7-[(3-bromophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-3-methyl-8-(propylamino)xanthine Formula: C16H18BrN5O2 MolecularWeight: 392.25042

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CCCNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H18BrN5O2/c1-3-7-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-5-4-6-11(17)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,18,19)(H,20,23,24)