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

Systemtic Name: methyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-(prop-2-enylamino)purin-7-yl]ethanoate Openeye Name: methyl 2-[8-(allylamino)-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(prop-2-enylamino)-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-methyl-2,6-dioxo-8-(prop-2-enylamino)purin-7-yl]acetate Traditional Name: 2-[8-(allylamino)-2,6-diketo-3-methyl-purin-7-yl]acetic acid methyl ester Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4/c1-4-5-13-11-14-9-8(17(11)6-7(18)21-3)10(19)15-12(20)16(9)2/h4H,1,5-6H2,2-3H3,(H,13,14)(H,15,19,20)