2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazin-1-ium-1-yl]ethyl N-phenylcarbamate

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazin-1-ium-1-yl]ethyl N-phenylcarbamate Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl ester Formula: C20H26N7O4+ MolecularWeight: 428.46494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CCOC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CCOC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H25N7O4/c1-24-16-15(17(28)25(2)20(24)30)22-18(23-16)27-10-8-26(9-11-27)12-13-31-19(29)21-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,21,29)(H,22,23)/p+1