8-(2-azanylethoxy)-7-but-2-ynyl-3-methyl-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethoxy)-7-but-2-ynyl-3-methyl-1-phenacyl-purine-2,6-dione Openeye Name: 8-(2-aminoethoxy)-7-but-2-ynyl-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 8-(2-aminoethoxy)-7-but-2-ynyl-3-methyl-1-phenacylpurine-2,6-dione IUPAC Name: 8-(2-aminoethoxy)-7-but-2-ynyl-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 8-(2-aminoethoxy)-7-but-2-ynyl-3-methyl-1-phenacyl-xanthine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1OCCN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC#CCN1C2=C(N=C1OCCN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N5O4/c1-3-4-11-24-16-17(22-19(24)29-12-10-21)23(2)20(28)25(18(16)27)13-15(26)14-8-6-5-7-9-14/h5-9H,10-13,21H2,1-2H3