2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoic acid

Systemtic Name: 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoic acid Openeye Name: 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxo-purin-1-yl]acetic acid CAS Name: 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxo-1-purinyl]acetic acid IUPAC Name: 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxopurin-1-yl]acetic acid Traditional Name: 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-2,6-diketo-3-methyl-purin-1-yl]acetic acid Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCNCC3)N(C(=O)N(C2=O)CC(=O)O)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCNCC3)N(C(=O)N(C2=O)CC(=O)O)C

InChI

InChI=1S/C17H22N6O4/c1-3-4-9-22-13-14(19-16(22)21-8-5-6-18-7-10-21)20(2)17(27)23(15(13)26)11-12(24)25/h18H,5-11H2,1-2H3,(H,24,25)