methyl 2-[7-butan-2-yl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoate

Systemtic Name: methyl 2-[7-butan-2-yl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoate Openeye Name: methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-yl-7-sec-butyl-purin-1-yl)acetate CAS Name: 2-[7-butan-2-yl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(7-butan-2-yl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3-methyl-8-piperazino-7-sec-butyl-purin-1-yl)acetic acid methyl ester Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)OC)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)OC)C

InChI

InChI=1S/C17H26N6O4/c1-5-11(2)23-13-14(19-16(23)21-8-6-18-7-9-21)20(3)17(26)22(15(13)25)10-12(24)27-4/h11,18H,5-10H2,1-4H3