butyl 4-[(2E)-2-[2,4-bis(azanyl)-6-oxidanylidene-pyrimidin-5-ylidene]hydrazinyl]benzoate

Systemtic Name: butyl 4-[(2E)-2-[2,4-bis(azanyl)-6-oxidanylidene-pyrimidin-5-ylidene]hydrazinyl]benzoate Openeye Name: butyl 4-[(2E)-2-(2,4-diamino-6-oxo-pyrimidin-5-ylidene)hydrazino]benzoate CAS Name: 4-[(2E)-2-(2,4-diamino-6-oxo-5-pyrimidinylidene)hydrazinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[(2E)-2-(2,4-diamino-6-oxopyrimidin-5-ylidene)hydrazinyl]benzoate Traditional Name: 4-[(N'E)-N'-(2,4-diamino-6-keto-pyrimidin-5-ylidene)hydrazino]benzoic acid butyl ester Formula: C15H18N6O3 MolecularWeight: 330.34182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NN=C2C(=NC(=NC2=O)N)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N/N=C/2\C(=NC(=NC2=O)N)N

InChI

InChI=1S/C15H18N6O3/c1-2-3-8-24-14(23)9-4-6-10(7-5-9)20-21-11-12(16)18-15(17)19-13(11)22/h4-7,20H,2-3,8H2,1H3,(H4,16,17,18,19,22)/b21-11+