7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(propan-2-ylamino)purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(propan-2-ylamino)purin-6-one Openeye Name: 7-but-2-ynyl-2-(isopropylamino)-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(propan-2-ylamino)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(propan-2-ylamino)purin-6-one Traditional Name: 7-but-2-ynyl-2-(isopropylamino)-1-methyl-8-piperazino-purin-6-one Formula: C17H25N7O MolecularWeight: 343.4267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N7O/c1-5-6-9-24-13-14(21-17(24)23-10-7-18-8-11-23)20-16(19-12(2)3)22(4)15(13)25/h12,18H,7-11H2,1-4H3,(H,19,20)