2-azanyl-9-[(4-bromanyl-3,5-dimethyl-pyridin-2-yl)methyl]-6-chloranyl-7-pent-2-ynyl-purin-8-one

Systemtic Name: 2-azanyl-9-[(4-bromanyl-3,5-dimethyl-pyridin-2-yl)methyl]-6-chloranyl-7-pent-2-ynyl-purin-8-one Openeye Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridyl)methyl]-6-chloro-7-pent-2-ynyl-purin-8-one CAS Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloro-7-pent-2-ynyl-8-purinone IUPAC Name: 2-amino-9-[(4-bromo-3,5-dimethylpyridin-2-yl)methyl]-6-chloro-7-pent-2-ynylpurin-8-one Traditional Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridyl)methyl]-6-chloro-7-pent-2-ynyl-purin-8-one Formula: C18H18BrClN6O MolecularWeight: 449.73212

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCN1C2=C(N=C(N=C2Cl)N)N(C1=O)CC3=NC=C(C(=C3C)Br)C

Isomeric SMILES

CCC#CCN1C2=C(N=C(N=C2Cl)N)N(C1=O)CC3=NC=C(C(=C3C)Br)C

InChI

InChI=1S/C18H18BrClN6O/c1-4-5-6-7-25-14-15(20)23-17(21)24-16(14)26(18(25)27)9-12-11(3)13(19)10(2)8-22-12/h8H,4,7,9H2,1-3H3,(H2,21,23,24)