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7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[3-(methylamino)propylamino]purine-2,6-dione
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[3-(methylamino)propylamino]purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CNCCCNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C
Isomeric SMILES
CNCCCNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C18H23BrN6O2/c1-20-9-4-10-21-17-22-15-14(16(26)24(3)18(27)23(15)2)25(17)11-12-5-7-13(19)8-6-12/h5-8,20H,4,9-11H2,1-3H3,(H,21,22)
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