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

Systemtic Name: methyl 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]acetate CAS Name: 2-[4-(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-(7-allyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]acetic acid methyl ester Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O4/c1-4-5-22-12-13(19(2)16(25)18-14(12)24)17-15(22)21-8-6-20(7-9-21)10-11(23)26-3/h4H,1,5-10H2,2-3H3,(H,18,24,25)