dimethyl 2-[(Z)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(Z)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propanedioate Openeye Name: dimethyl 2-[(Z)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propanedioate CAS Name: 2-[(Z)-4-[6-(methylamino)-9-purinyl]but-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(Z)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propanedioate Traditional Name: 2-[(Z)-4-[6-(methylamino)purin-9-yl]but-2-enyl]malonic acid dimethyl ester Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CC=CCC(C(=O)OC)C(=O)OC

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C/C=C\CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C15H19N5O4/c1-16-12-11-13(18-8-17-12)20(9-19-11)7-5-4-6-10(14(21)23-2)15(22)24-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,18)/b5-4-