7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-propan-2-ylsulfinyl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-propan-2-ylsulfinyl-purin-6-one Openeye Name: 7-but-2-ynyl-2-isopropylsulfinyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-propan-2-ylsulfinyl-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-propan-2-ylsulfinylpurin-6-one Traditional Name: 7-but-2-ynyl-2-isopropylsulfinyl-1-methyl-8-piperazino-purin-6-one Formula: C17H24N6O2S MolecularWeight: 376.47646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O2S/c1-5-6-9-23-13-14(19-16(23)22-10-7-18-8-11-22)20-17(21(4)15(13)24)26(25)12(2)3/h12,18H,7-11H2,1-4H3