7-(3-chloranyl-4-methyl-phenyl)-N-cyclohexyl-N-ethyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-N-cyclohexyl-N-ethyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-N-cyclohexyl-N-ethyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(3-chloro-4-methylphenyl)-N-cyclohexyl-N-ethyl-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(3-chloro-4-methylphenyl)-N-cyclohexyl-N-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-cyclohexyl-ethyl-amine Formula: C27H29ClN4 MolecularWeight: 444.99896

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C2=NC=NC3=C2C(=CN3C4=CC(=C(C=C4)C)Cl)C5=CC=CC=C5

Isomeric SMILES

CCN(C1CCCCC1)C2=NC=NC3=C2C(=CN3C4=CC(=C(C=C4)C)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H29ClN4/c1-3-31(21-12-8-5-9-13-21)26-25-23(20-10-6-4-7-11-20)17-32(27(25)30-18-29-26)22-15-14-19(2)24(28)16-22/h4,6-7,10-11,14-18,21H,3,5,8-9,12-13H2,1-2H3