7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-1-prop-2-enyl-purine-2-carbonitrile

Systemtic Name: 7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-1-prop-2-enyl-purine-2-carbonitrile Openeye Name: 1-allyl-7-but-2-ynyl-6-oxo-8-piperazin-1-yl-purine-2-carbonitrile CAS Name: 7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-1-prop-2-enyl-2-purinecarbonitrile IUPAC Name: 7-but-2-ynyl-6-oxo-8-piperazin-1-yl-1-prop-2-enylpurine-2-carbonitrile Traditional Name: 1-allyl-7-but-2-ynyl-6-keto-8-piperazino-purine-2-carbonitrile Formula: C17H19N7O MolecularWeight: 337.37906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O/c1-3-5-9-24-14-15(21-17(24)22-10-6-19-7-11-22)20-13(12-18)23(8-4-2)16(14)25/h4,19H,2,6-11H2,1H3