4-bromanyl-5-propan-2-yl-7-[(3,4,5-trimethoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 4-bromanyl-5-propan-2-yl-7-[(3,4,5-trimethoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-bromo-5-isopropyl-7-[(3,4,5-trimethoxy-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-bromo-5-propan-2-yl-7-[(3,4,5-trimethoxy-1-oxido-2-pyridin-1-iumyl)methyl]-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 4-bromo-5-propan-2-yl-7-[(3,4,5-trimethoxy-1-oxidopyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-bromo-5-isopropyl-7-[(3,4,5-trimethoxy-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C18H22BrN5O4 MolecularWeight: 452.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN(C2=C1C(=NC(=N2)N)Br)CC3=[N+](C=C(C(=C3OC)OC)OC)[O-]

Isomeric SMILES

CC(C)C1=CN(C2=C1C(=NC(=N2)N)Br)CC3=[N+](C=C(C(=C3OC)OC)OC)[O-]

InChI

InChI=1S/C18H22BrN5O4/c1-9(2)10-6-23(17-13(10)16(19)21-18(20)22-17)7-11-14(27-4)15(28-5)12(26-3)8-24(11)25/h6,8-9H,7H2,1-5H3,(H2,20,21,22)