7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[2-(1,3-thiazolidin-3-ylcarbonyl)phenoxy]purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[2-(1,3-thiazolidin-3-ylcarbonyl)phenoxy]purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[2-(thiazolidine-3-carbonyl)phenoxy]purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-[2-[oxo(3-thiazolidinyl)methyl]phenoxy]-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[2-(1,3-thiazolidine-3-carbonyl)phenoxy]purin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-[2-(thiazolidine-3-carbonyl)phenoxy]purin-6-one Formula: C24H27N7O3S MolecularWeight: 493.58128

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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)N5CCSC5

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N5CCSC5

InChI

InChI=1S/C24H27N7O3S/c1-3-4-11-31-19-20(26-23(31)29-12-9-25-10-13-29)27-24(28(2)22(19)33)34-18-8-6-5-7-17(18)21(32)30-14-15-35-16-30/h5-8,25H,9-16H2,1-2H3