7-but-2-ynyl-1-methyl-3-(1-methyl-2-oxidanylidene-pyrrolidin-3-yl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-1-methyl-3-(1-methyl-2-oxidanylidene-pyrrolidin-3-yl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-3-(1-methyl-2-oxo-pyrrolidin-3-yl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-3-(1-methyl-2-oxo-3-pyrrolidinyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-keto-1-methyl-pyrrolidin-3-yl)-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)C4CCN(C4=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCN(C4=O)C

InChI

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