2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(2S)-2-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(2S)-2-phenyl-2-pyrrolidino-ethyl]acetamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC[C@H](C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C21H26N6O3/c1-24-19-18(20(29)25(2)21(24)30)27(14-23-19)13-17(28)22-12-16(26-10-6-7-11-26)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,22,28)/t16-/m1/s1