methyl 4-[3-(4-chloranylpyrrolo[2,3-d]pyrimidin-7-yl)propyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[3-(4-chloranylpyrrolo[2,3-d]pyrimidin-7-yl)propyl-methyl-amino]benzoate Openeye Name: methyl 4-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)propyl-methyl-amino]benzoate CAS Name: 4-[3-(4-chloro-7-pyrrolo[2,3-d]pyrimidinyl)propyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)propyl-methylamino]benzoate Traditional Name: 4-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)propyl-methyl-amino]benzoic acid methyl ester Formula: C18H19ClN4O2 MolecularWeight: 358.82206

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1C=CC2=C1N=CN=C2Cl)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CCCN1C=CC2=C1N=CN=C2Cl)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H19ClN4O2/c1-22(14-6-4-13(5-7-14)18(24)25-2)9-3-10-23-11-8-15-16(19)20-12-21-17(15)23/h4-8,11-12H,3,9-10H2,1-2H3