methyl 3-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]benzoate

Systemtic Name: methyl 3-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]benzoate Openeye Name: methyl 3-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]benzoate CAS Name: 3-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]benzoate Traditional Name: 3-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]benzoic acid methyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)COC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)COC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O4/c1-16(31)26-11-12-27-23-21-14-19(15-34-20-10-6-9-18(13-20)25(32)33-2)28-24(21)30-22(29-23)17-7-4-3-5-8-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,31)(H2,27,28,29,30)