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

Systemtic Name: 2-[7-(2-ethenylphenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanamide Openeye Name: 2-[2,6-dioxo-8-piperazin-1-yl-7-(2-vinylphenyl)purin-3-yl]acetamide CAS Name: 2-[7-(2-ethenylphenyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetamide IUPAC Name: 2-[7-(2-ethenylphenyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetamide Traditional Name: 2-[2,6-diketo-8-piperazino-7-(2-vinylphenyl)purin-3-yl]acetamide Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=CC=C1N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)CC(=O)N

Isomeric SMILES

C=CC1=CC=CC=C1N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)CC(=O)N

InChI

InChI=1S/C19H21N7O3/c1-2-12-5-3-4-6-13(12)26-15-16(22-18(26)24-9-7-21-8-10-24)25(11-14(20)27)19(29)23-17(15)28/h2-6,21H,1,7-11H2,(H2,20,27)(H,23,28,29)