7-but-2-ynyl-3-methyl-8-piperazin-1-yl-1-(pyridin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-3-methyl-8-piperazin-1-yl-1-(pyridin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-methyl-8-piperazin-1-yl-1-(4-pyridylmethyl)purine-2,6-dione CAS Name: 7-but-2-ynyl-3-methyl-8-(1-piperazinyl)-1-(pyridin-4-ylmethyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-methyl-8-piperazin-1-yl-1-(pyridin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-but-2-ynyl-3-methyl-8-piperazino-1-(4-pyridylmethyl)xanthine Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=CC=NC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=CC=NC=C4)C

InChI

InChI=1S/C20H23N7O2/c1-3-4-11-26-16-17(23-19(26)25-12-9-22-10-13-25)24(2)20(29)27(18(16)28)14-15-5-7-21-8-6-15/h5-8,22H,9-14H2,1-2H3