methyl 4-[(4E)-4-[(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)hydrazinylidene]pentyl]benzoate

Systemtic Name: methyl 4-[(4E)-4-[(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)hydrazinylidene]pentyl]benzoate Openeye Name: methyl 4-[(4E)-4-[(2-amino-4-oxo-1H-pyrimidin-6-yl)hydrazono]pentyl]benzoate CAS Name: 4-[(4E)-4-[(2-amino-4-oxo-1H-pyrimidin-6-yl)hydrazinylidene]pentyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4E)-4-[(2-amino-4-oxo-1H-pyrimidin-6-yl)hydrazinylidene]pentyl]benzoate Traditional Name: 4-[(4E)-4-[(2-amino-4-keto-1H-pyrimidin-6-yl)hydrazono]pentyl]benzoic acid methyl ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=O)N=C(N1)N)CCCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C/C(=N\NC1=CC(=O)N=C(N1)N)/CCCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H21N5O3/c1-11(21-22-14-10-15(23)20-17(18)19-14)4-3-5-12-6-8-13(9-7-12)16(24)25-2/h6-10H,3-5H2,1-2H3,(H4,18,19,20,22,23)/b21-11+