(2R)-2-[[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-3-phenyl-propanoate Openeye Name: (2R)-2-[(3,7-dimethyl-2,6-dioxo-purin-8-yl)amino]-3-phenyl-propanoate CAS Name: (2R)-2-[(3,7-dimethyl-2,6-dioxo-8-purinyl)amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]-3-phenylpropanoate Traditional Name: (2R)-2-[(2,6-diketo-3,7-dimethyl-purin-8-yl)amino]-3-phenyl-propionate Formula: C16H16N5O4- MolecularWeight: 342.32934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC(CC3=CC=CC=C3)C(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1N[C@H](CC3=CC=CC=C3)C(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C16H17N5O4/c1-20-11-12(21(2)16(25)19-13(11)22)18-15(20)17-10(14(23)24)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,17,18)(H,23,24)(H,19,22,25)/p-1/t10-/m1/s1