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

Systemtic Name: methyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]ethanoate Openeye Name: methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-3-methyl-8-piperazino-purin-7-yl)acetic acid methyl ester Formula: C13H18N6O4 MolecularWeight: 322.31982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC(=O)OC

InChI

InChI=1S/C13H18N6O4/c1-17-10-9(11(21)16-13(17)22)19(7-8(20)23-2)12(15-10)18-5-3-14-4-6-18/h14H,3-7H2,1-2H3,(H,16,21,22)