dimethyl (2E)-2-[(1-azanyl-4-ethyl-6-oxidanylidene-pyrimidin-2-yl)hydrazinylidene]butanedioate

Systemtic Name: dimethyl (2E)-2-[(1-azanyl-4-ethyl-6-oxidanylidene-pyrimidin-2-yl)hydrazinylidene]butanedioate Openeye Name: dimethyl (2E)-2-[(1-amino-4-ethyl-6-oxo-pyrimidin-2-yl)hydrazono]butanedioate CAS Name: (2E)-2-[(1-amino-4-ethyl-6-oxo-2-pyrimidinyl)hydrazinylidene]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-[(1-amino-4-ethyl-6-oxopyrimidin-2-yl)hydrazinylidene]butanedioate Traditional Name: (2E)-2-[(1-amino-4-ethyl-6-keto-pyrimidin-2-yl)hydrazono]succinic acid dimethyl ester Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(C(=N1)NN=C(CC(=O)OC)C(=O)OC)N

Isomeric SMILES

CCC1=CC(=O)N(C(=N1)N/N=C(\CC(=O)OC)/C(=O)OC)N

InChI

InChI=1S/C12H17N5O5/c1-4-7-5-9(18)17(13)12(14-7)16-15-8(11(20)22-3)6-10(19)21-2/h5H,4,6,13H2,1-3H3,(H,14,16)/b15-8+