7-but-2-ynyl-3-cyclohex-3-en-1-yl-1-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-3-cyclohex-3-en-1-yl-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-cyclohex-3-en-1-yl-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(1-cyclohex-3-enyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-cyclohex-3-en-1-yl-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-cyclohex-3-en-1-yl-1-methyl-8-piperazino-xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCC=CC4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCC=CC4

InChI

InChI=1S/C20H26N6O2/c1-3-4-12-25-16-17(22-19(25)24-13-10-21-11-14-24)26(15-8-6-5-7-9-15)20(28)23(2)18(16)27/h5-6,15,21H,7-14H2,1-2H3