ethyl 4-[4-azanyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[4-azanyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[4-amino-5-(2-phenyl-7-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanecarboxylate CAS Name: 4-[4-amino-5-(2-phenyl-7-quinolinyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxylate Traditional Name: 4-[4-amino-5-(2-phenyl-7-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanecarboxylic acid ethyl ester Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5O2/c1-2-37-30(36)21-10-13-23(14-11-21)35-17-24(27-28(31)32-18-33-29(27)35)22-9-8-20-12-15-25(34-26(20)16-22)19-6-4-3-5-7-19/h3-9,12,15-18,21,23H,2,10-11,13-14H2,1H3,(H2,31,32,33)