7-but-2-ynyl-2-chloranyl-9-(cyclopropylmethyl)-6-piperazin-1-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-2-chloranyl-9-(cyclopropylmethyl)-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-2-chloro-9-(cyclopropylmethyl)-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-2-chloro-9-(cyclopropylmethyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-2-chloro-9-(cyclopropylmethyl)-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-2-chloro-9-(cyclopropylmethyl)-6-piperazino-purin-8-one Formula: C17H21ClN6O MolecularWeight: 360.84124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CC4CC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CC4CC4

InChI

InChI=1S/C17H21ClN6O/c1-2-3-8-23-13-14(22-9-6-19-7-10-22)20-16(18)21-15(13)24(17(23)25)11-12-4-5-12/h12,19H,4-11H2,1H3