methyl 4-[3-(4-azanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate

Systemtic Name: methyl 4-[3-(4-azanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate Openeye Name: methyl 4-[3-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate CAS Name: 4-[3-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate Traditional Name: 4-[3-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid methyl ester Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CN2)CCCC3=CC=C(C=C3)C(=O)OC)C(=N1)N

Isomeric SMILES

CC1=NC2=C(C(=CN2)CCCC3=CC=C(C=C3)C(=O)OC)C(=N1)N

InChI

InChI=1S/C18H20N4O2/c1-11-21-16(19)15-14(10-20-17(15)22-11)5-3-4-12-6-8-13(9-7-12)18(23)24-2/h6-10H,3-5H2,1-2H3,(H3,19,20,21,22)