tert-butyl 3-[5-(3-hydroxyphenyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propanoate

Systemtic Name: tert-butyl 3-[5-(3-hydroxyphenyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propanoate Openeye Name: tert-butyl 3-[5-(3-hydroxyphenyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propanoate CAS Name: 3-[5-(3-hydroxyphenyl)-4-(methylamino)-7-pyrrolo[2,3-d]pyrimidinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(3-hydroxyphenyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propanoate Traditional Name: 3-[5-(3-hydroxyphenyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propionic acid tert-butyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C=C(C2=C1N=CN=C2NC)C3=CC(=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C=C(C2=C1N=CN=C2NC)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H24N4O3/c1-20(2,3)27-16(26)8-9-24-11-15(13-6-5-7-14(25)10-13)17-18(21-4)22-12-23-19(17)24/h5-7,10-12,25H,8-9H2,1-4H3,(H,21,22,23)