7-but-2-ynyl-1-methyl-3-[(2-oxidanylidenepyrrolidin-3-yl)methyl]-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-1-methyl-3-[(2-oxidanylidenepyrrolidin-3-yl)methyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-3-[(2-oxopyrrolidin-3-yl)methyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-3-[(2-oxo-3-pyrrolidinyl)methyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-3-[(2-oxopyrrolidin-3-yl)methyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-[(2-ketopyrrolidin-3-yl)methyl]-1-methyl-8-piperazino-xanthine Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4CCNC4=O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4CCNC4=O

InChI

InChI=1S/C19H25N7O3/c1-3-4-9-25-14-15(22-18(25)24-10-7-20-8-11-24)26(19(29)23(2)17(14)28)12-13-5-6-21-16(13)27/h13,20H,5-12H2,1-2H3,(H,21,27)