ethyl 4-(4-azanyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-5-yl)benzoate

Systemtic Name: ethyl 4-(4-azanyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-5-yl)benzoate Openeye Name: ethyl 4-(4-amino-7-phenyl-pyrrolo[2,3-d]pyrimidin-5-yl)benzoate CAS Name: 4-(4-amino-7-phenyl-5-pyrrolo[2,3-d]pyrimidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-amino-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)benzoate Traditional Name: 4-(4-amino-7-phenyl-pyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid ethyl ester Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2/c1-2-27-21(26)15-10-8-14(9-11-15)17-12-25(16-6-4-3-5-7-16)20-18(17)19(22)23-13-24-20/h3-13H,2H2,1H3,(H2,22,23,24)