7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-thiophen-3-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-thiophen-3-yl-purin-8-one Openeye Name: 7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-(3-thienyl)purin-8-one CAS Name: 7-but-2-ynyl-2-methoxy-6-(1-piperazinyl)-9-(3-thiophenyl)-8-purinone IUPAC Name: 7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-thiophen-3-ylpurin-8-one Traditional Name: 7-but-2-ynyl-2-methoxy-6-piperazino-9-(3-thienyl)purin-8-one Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC)N(C1=O)C4=CSC=C4

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC)N(C1=O)C4=CSC=C4

InChI

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