3-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-one

Systemtic Name: 3-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-one Openeye Name: 3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-2-one CAS Name: 3-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-2-oxolanone IUPAC Name: 3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-one Traditional Name: 3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-2-one Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1COC(=O)C1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H18N4O3/c23-20-19-17(12-26(21(19)25-13-24-20)18-10-11-28-22(18)27)14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11H2,(H2,23,24,25)