N-[4-[4-azanyl-7-(4-oxidanylidenecyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3-phenyl-propanamide

Systemtic Name: N-[4-[4-azanyl-7-(4-oxidanylidenecyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3-phenyl-propanamide Openeye Name: N-[4-[4-amino-7-(4-oxocyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3-phenyl-propanamide CAS Name: N-[4-[4-amino-7-(4-oxocyclohexyl)-5-pyrrolo[2,3-d]pyrimidinyl]-2-methoxyphenyl]-3-phenylpropanamide IUPAC Name: N-[4-[4-amino-7-(4-oxocyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]-3-phenylpropanamide Traditional Name: N-[4-[4-amino-7-(4-ketocyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3-phenyl-propionamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCC(=O)CC4)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCC(=O)CC4)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-36-24-15-19(8-13-23(24)32-25(35)14-7-18-5-3-2-4-6-18)22-16-33(20-9-11-21(34)12-10-20)28-26(22)27(29)30-17-31-28/h2-6,8,13,15-17,20H,7,9-12,14H2,1H3,(H,32,35)(H2,29,30,31)