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

Systemtic Name: 5-(4-azanyl-3-methoxy-phenyl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-amino-3-methoxy-phenyl)-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-amino-3-methoxyphenyl)-7-(4-oxanyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(4-amino-3-methoxyphenyl)-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-amino-3-methoxy-phenyl)-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-24-15-8-11(2-3-14(15)19)13-9-23(12-4-6-25-7-5-12)18-16(13)17(20)21-10-22-18/h2-3,8-10,12H,4-7,19H2,1H3,(H2,20,21,22)