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

Systemtic Name: 4-chloranyl-5-propan-2-yl-7-[(3,4,5-trimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-chloro-5-isopropyl-7-[(3,4,5-trimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-chloro-5-propan-2-yl-7-[(3,4,5-trimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 4-chloro-5-propan-2-yl-7-[(3,4,5-trimethyl-1-oxidopyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-chloro-5-isopropyl-7-[(3,4,5-trimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C18H22ClN5O MolecularWeight: 359.85318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1C)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C(C)C)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1C)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C(C)C)[O-]

InChI

InChI=1S/C18H22ClN5O/c1-9(2)13-7-23(17-15(13)16(19)21-18(20)22-17)8-14-12(5)11(4)10(3)6-24(14)25/h6-7,9H,8H2,1-5H3,(H2,20,21,22)