[(2R)-2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]amino]butyl] ethanoate

Systemtic Name: [(2R)-2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]amino]butyl] ethanoate Openeye Name: [(2R)-2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)amino]butyl] acetate CAS Name: acetic acid [(2R)-2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]amino]butyl] ester IUPAC Name: [(2R)-2-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]butyl] acetate Traditional Name: acetic acid [(2R)-2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)amino]butyl] ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C)NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@H](COC(=O)C)NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H25N5O4/c1-5-15(12-29-13(2)26)21-19-22-17-16(18(27)24(4)20(28)23(17)3)25(19)11-14-9-7-6-8-10-14/h6-10,15H,5,11-12H2,1-4H3,(H,21,22)/t15-/m1/s1