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

Systemtic Name: ethyl 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate Openeye Name: ethyl 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxo-purin-1-yl]acetate CAS Name: 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxo-1-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-2,6-dioxopurin-1-yl]acetate Traditional Name: 2-[7-but-2-ynyl-8-(1,4-diazepan-1-yl)-2,6-diketo-3-methyl-purin-1-yl]acetic acid ethyl ester Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(N=C(N2CC#CC)N3CCCNCC3)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(N=C(N2CC#CC)N3CCCNCC3)N(C1=O)C

InChI

InChI=1S/C19H26N6O4/c1-4-6-11-24-15-16(21-18(24)23-10-7-8-20-9-12-23)22(3)19(28)25(17(15)27)13-14(26)29-5-2/h20H,5,7-13H2,1-3H3