[2-[(2-azanyl-4-methoxy-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]cyclopropyl]methyl benzoate

Systemtic Name: [2-[(2-azanyl-4-methoxy-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]cyclopropyl]methyl benzoate Openeye Name: [2-[(2-amino-4-methoxy-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]cyclopropyl]methyl benzoate CAS Name: benzoic acid [2-[(2-amino-4-methoxy-7-pyrrolo[2,3-d]pyrimidinyl)methyl]cyclopropyl]methyl ester IUPAC Name: [2-[(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methyl]cyclopropyl]methyl benzoate Traditional Name: benzoic acid [2-[(2-amino-4-methoxy-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]cyclopropyl]methyl ester Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1C=CN2CC3CC3COC(=O)C4=CC=CC=C4)N

Isomeric SMILES

COC1=NC(=NC2=C1C=CN2CC3CC3COC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C19H20N4O3/c1-25-17-15-7-8-23(16(15)21-19(20)22-17)10-13-9-14(13)11-26-18(24)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3,(H2,20,21,22)