7-butan-2-yl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile

Systemtic Name: 7-butan-2-yl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile Openeye Name: 1-methyl-6-oxo-8-piperazin-1-yl-7-sec-butyl-purine-2-carbonitrile CAS Name: 7-butan-2-yl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinecarbonitrile IUPAC Name: 7-butan-2-yl-1-methyl-6-oxo-8-piperazin-1-ylpurine-2-carbonitrile Traditional Name: 6-keto-1-methyl-8-piperazino-7-sec-butyl-purine-2-carbonitrile Formula: C15H21N7O MolecularWeight: 315.37354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCNCC3

Isomeric SMILES

CCC(C)N1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCNCC3

InChI

InChI=1S/C15H21N7O/c1-4-10(2)22-12-13(18-11(9-16)20(3)14(12)23)19-15(22)21-7-5-17-6-8-21/h10,17H,4-8H2,1-3H3