7-but-2-ynyl-1-methyl-3-(1-phenylethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-1-methyl-3-(1-phenylethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-3-(1-phenylethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-3-(1-phenylethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-3-(1-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-1-methyl-3-(1-phenylethyl)-8-piperazino-xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)C4=CC=CC=C4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O2/c1-4-5-13-27-18-19(24-21(27)26-14-11-23-12-15-26)28(22(30)25(3)20(18)29)16(2)17-9-7-6-8-10-17/h6-10,16,23H,11-15H2,1-3H3