4-chloranyl-7-[(5-methoxy-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-5-propan-2-yl-pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-7-[(5-methoxy-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-5-propan-2-yl-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-chloro-5-isopropyl-7-[(5-methoxy-4,6-dimethyl-1-oxido-pyridin-1-ium-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-chloro-7-[(5-methoxy-4,6-dimethyl-1-oxido-3-pyridin-1-iumyl)methyl]-5-propan-2-yl-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 4-chloro-7-[(5-methoxy-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-chloro-5-isopropyl-7-[(5-methoxy-4,6-dimethyl-1-oxido-pyridin-1-ium-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1CN2C=C(C3=C2N=C(N=C3Cl)N)C(C)C)[O-])C)OC

Isomeric SMILES

CC1=C(C(=[N+](C=C1CN2C=C(C3=C2N=C(N=C3Cl)N)C(C)C)[O-])C)OC

InChI

InChI=1S/C18H22ClN5O2/c1-9(2)13-8-23(17-14(13)16(19)21-18(20)22-17)6-12-7-24(25)11(4)15(26-5)10(12)3/h7-9H,6H2,1-5H3,(H2,20,21,22)