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

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-thiophen-3-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-(3-thienyl)purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-3-(3-thiophenyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-thiophen-3-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-3-(3-thienyl)xanthine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O2S/c1-3-4-8-23-14-15(20-17(23)22-9-6-19-7-10-22)24(13-5-11-27-12-13)18(26)21(2)16(14)25/h5,11-12,19H,6-10H2,1-2H3