[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] (E)-3-(6-methoxy-2-naphthyl)prop-2-enoate CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-2-propenoic acid [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate Traditional Name: (E)-3-(6-methoxy-2-naphthyl)acrylic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C=CC3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)/C=C/C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C22H19N5O4/c1-13(22(29)27-21-19-20(24-11-23-19)25-12-26-21)31-18(28)8-4-14-3-5-16-10-17(30-2)7-6-15(16)9-14/h3-13H,1-2H3,(H2,23,24,25,26,27,29)/b8-4+/t13-/m1/s1