7-but-2-ynyl-1-methyl-1-[methyl(phenethyl)amino]-8-piperazin-1-yl-purin-1-ium-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-1-[methyl(phenethyl)amino]-8-piperazin-1-yl-purin-1-ium-6-one Openeye Name: 7-but-2-ynyl-1-methyl-1-[methyl(phenethyl)amino]-8-piperazin-1-yl-purin-1-ium-6-one CAS Name: 7-but-2-ynyl-1-methyl-1-[methyl(phenethyl)amino]-8-(1-piperazinyl)-6-purin-1-iumone IUPAC Name: 7-but-2-ynyl-1-methyl-1-[methyl(phenethyl)amino]-8-piperazin-1-ylpurin-1-ium-6-one Traditional Name: 7-but-2-ynyl-1-methyl-1-[methyl(phenethyl)amino]-8-piperazino-purin-1-ium-6-one Formula: C23H30N7O+ MolecularWeight: 420.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C[N+](C2=O)(C)N(C)CCC3=CC=CC=C3)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C[N+](C2=O)(C)N(C)CCC3=CC=CC=C3)N=C1N4CCNCC4

InChI

InChI=1S/C23H30N7O/c1-4-5-14-29-20-21(26-23(29)28-16-12-24-13-17-28)25-18-30(3,22(20)31)27(2)15-11-19-9-7-6-8-10-19/h6-10,18,24H,11-17H2,1-3H3/q+1