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

Systemtic Name: pyridin-4-ylmethyl N-[4-[4-azanyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]carbamate Openeye Name: 4-pyridylmethyl N-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxy-phenyl]carbamate CAS Name: N-[4-[4-amino-7-(4-oxanyl)-5-pyrrolo[2,3-d]pyrimidinyl]-2-methoxyphenyl]carbamic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl N-[4-[4-amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]carbamate Traditional Name: N-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxy-phenyl]carbamic acid 4-pyridylmethyl ester Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCOCC4)NC(=O)OCC5=CC=NC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCOCC4)NC(=O)OCC5=CC=NC=C5

InChI

InChI=1S/C25H26N6O4/c1-33-21-12-17(2-3-20(21)30-25(32)35-14-16-4-8-27-9-5-16)19-13-31(18-6-10-34-11-7-18)24-22(19)23(26)28-15-29-24/h2-5,8-9,12-13,15,18H,6-7,10-11,14H2,1H3,(H,30,32)(H2,26,28,29)