(7-methyl-6-phenyl-2,4-dipyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidin-5-yl) benzoate

Systemtic Name: (7-methyl-6-phenyl-2,4-dipyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidin-5-yl) benzoate Openeye Name: (7-methyl-6-phenyl-2,4-dipyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidin-5-yl) benzoate CAS Name: benzoic acid [7-methyl-6-phenyl-2,4-bis(1-pyrrolidinyl)-5-pyrrolo[2,3-d]pyrimidinyl] ester IUPAC Name: (7-methyl-6-phenyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl) benzoate Traditional Name: benzoic acid (7-methyl-6-phenyl-2,4-dipyrrolidino-pyrrolo[2,3-d]pyrimidin-5-yl) ester Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1N=C(N=C2N3CCCC3)N4CCCC4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C(=C(C2=C1N=C(N=C2N3CCCC3)N4CCCC4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H29N5O2/c1-31-23(20-12-4-2-5-13-20)24(35-27(34)21-14-6-3-7-15-21)22-25(31)29-28(33-18-10-11-19-33)30-26(22)32-16-8-9-17-32/h2-7,12-15H,8-11,16-19H2,1H3