2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-3-chloranyl-pyrazolo[4,3-d]pyrimidin-7-amine

Systemtic Name: 2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-3-chloranyl-pyrazolo[4,3-d]pyrimidin-7-amine Openeye Name: 2-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-3-chloro-pyrazolo[4,3-d]pyrimidin-7-amine CAS Name: 2-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-3-chloro-7-pyrazolo[4,3-d]pyrimidinamine IUPAC Name: 2-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-3-chloropyrazolo[4,3-d]pyrimidin-7-amine Traditional Name: [2-(2-bromo-3,4,5-trimethoxy-benzyl)-3-chloro-pyrazolo[4,3-d]pyrimidin-7-yl]amine Formula: C15H15BrClN5O3 MolecularWeight: 428.6683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C(=C3C(=N2)C(=NC=N3)N)Cl)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C(=C3C(=N2)C(=NC=N3)N)Cl)Br)OC)OC

InChI

InChI=1S/C15H15BrClN5O3/c1-23-8-4-7(9(16)13(25-3)12(8)24-2)5-22-14(17)10-11(21-22)15(18)20-6-19-10/h4,6H,5H2,1-3H3,(H2,18,19,20)