7-but-2-ynyl-9-phenethyl-6-piperazin-1-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-9-phenethyl-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-9-phenethyl-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-phenethyl-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-9-phenethyl-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-9-phenethyl-6-piperazino-purin-8-one Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O/c1-2-3-12-26-18-19(25-14-10-22-11-15-25)23-16-24-20(18)27(21(26)28)13-9-17-7-5-4-6-8-17/h4-8,16,22H,9-15H2,1H3