ethyl 4-[3-(2-azanyl-4-chloranyl-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-azanyl-4-chloranyl-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Openeye Name: ethyl 4-[3-(2-amino-4-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate CAS Name: 4-[3-(2-amino-4-chloro-7-pyrrolo[2,3-d]pyrimidinyl)propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Traditional Name: 4-[3-(2-amino-4-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoic acid ethyl ester Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCN2C=CC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCN2C=CC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C18H20ClN5O2/c1-2-26-17(25)12-4-6-13(7-5-12)21-9-3-10-24-11-8-14-15(19)22-18(20)23-16(14)24/h4-8,11,21H,2-3,9-10H2,1H3,(H2,20,22,23)