4-[4-azanyl-5-(4-azanyl-3-methoxy-phenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one

Systemtic Name: 4-[4-azanyl-5-(4-azanyl-3-methoxy-phenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-5-(4-amino-3-methoxy-phenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanone CAS Name: 4-[4-amino-5-(4-amino-3-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-5-(4-amino-3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-5-(4-amino-3-methoxy-phenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanone Formula: C19H21N5O2 MolecularWeight: 351.40234

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2/c1-26-16-8-11(2-7-15(16)20)14-9-24(12-3-5-13(25)6-4-12)19-17(14)18(21)22-10-23-19/h2,7-10,12H,3-6,20H2,1H3,(H2,21,22,23)