2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]piperazin-1-yl]ethanamide

Systemtic Name: 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]acetamide CAS Name: 2-[4-(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)-1-piperazinyl]acetamide IUPAC Name: 2-[4-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(7-allyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]acetamide Formula: C15H21N7O3 MolecularWeight: 347.37234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)N)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)N)CC=C

InChI

InChI=1S/C15H21N7O3/c1-3-4-22-11-12(19(2)15(25)18-13(11)24)17-14(22)21-7-5-20(6-8-21)9-10(16)23/h3H,1,4-9H2,2H3,(H2,16,23)(H,18,24,25)