methyl (E)-4-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]but-2-enoate Openeye Name: methyl (E)-4-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-9-yl)but-2-enoate CAS Name: (E)-4-(8-chloro-1,3-dimethyl-2,6-dioxo-9-purinyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(8-chloro-1,3-dimethyl-2,6-dioxopurin-9-yl)but-2-enoate Traditional Name: (E)-4-(8-chloro-2,6-diketo-1,3-dimethyl-purin-9-yl)but-2-enoic acid methyl ester Formula: C12H13ClN4O4 MolecularWeight: 312.70902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC=CC(=O)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2C/C=C/C(=O)OC)Cl

InChI

InChI=1S/C12H13ClN4O4/c1-15-9-8(10(19)16(2)12(15)20)14-11(13)17(9)6-4-5-7(18)21-3/h4-5H,6H2,1-3H3/b5-4+