3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxybenzamide

Systemtic Name: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxybenzamide Openeye Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxybenzamide; 3-(diaminomethylene)-1,1-dimethyl-guanidine CAS Name: 2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]benzamide; 3-(diaminomethylidene)-1,1-dimethylguanidine IUPAC Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxybenzamide; 3-(diaminomethylidene)-1,1-dimethylguanidine Traditional Name: 2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxybenzamide; 3-(diaminomethylene)-1,1-dimethyl-guanidine Formula: C25H34N12O3 MolecularWeight: 550.61606

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N.CN(C)C(=N)N=C(N)N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N.CN(C)C(=N)N=C(N)N

InChI

InChI=1S/C21H23N7O3.C4H11N5/c1-3-4-11-28-16-18(24-20(28)27-12-9-23-10-13-27)25-21(26(2)19(16)30)31-15-8-6-5-7-14(15)17(22)29;1-9(2)4(7)8-3(5)6/h5-8,23H,9-13H2,1-2H3,(H2,22,29);1-2H3,(H5,5,6,7,8)