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

Systemtic Name: N-[4-[4-azanyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3-phenyl-propanamide Openeye Name: N-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxy-phenyl]-3-phenyl-propanamide CAS Name: N-[4-[4-amino-7-(4-oxanyl)-5-pyrrolo[2,3-d]pyrimidinyl]-2-methoxyphenyl]-3-phenylpropanamide IUPAC Name: N-[4-[4-amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]-3-phenylpropanamide Traditional Name: N-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxy-phenyl]-3-phenyl-propionamide Formula: C27H29N5O3 MolecularWeight: 471.55086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCOCC4)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCOCC4)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c1-34-23-15-19(8-9-22(23)31-24(33)10-7-18-5-3-2-4-6-18)21-16-32(20-11-13-35-14-12-20)27-25(21)26(28)29-17-30-27/h2-6,8-9,15-17,20H,7,10-14H2,1H3,(H,31,33)(H2,28,29,30)