8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-1,3-dimethyl-xanthine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H22N6O2/c1-4-5-9-22-12-13(19(2)16(24)20(3)14(12)23)18-15(22)21-8-6-7-11(17)10-21/h11H,6-10,17H2,1-3H3