4-chloranyl-7-[(4-methoxy-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-5-phenyl-pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-7-[(4-methoxy-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-5-phenyl-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-chloro-7-[(4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-5-phenyl-pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-chloro-7-[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-5-phenyl-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 4-chloro-7-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]-5-phenylpyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-chloro-7-[(4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-5-phenyl-pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H20ClN5O2/c1-12-9-27(28)16(13(2)18(12)29-3)11-26-10-15(14-7-5-4-6-8-14)17-19(22)24-21(23)25-20(17)26/h4-10H,11H2,1-3H3,(H2,23,24,25)