ethyl 4-[4-[[(5E)-2-azanyl-6-oxidanylidene-5-(phenylhydrazinylidene)pyrimidin-4-yl]amino]-3-oxidanylidene-butyl]benzoate

Systemtic Name: ethyl 4-[4-[[(5E)-2-azanyl-6-oxidanylidene-5-(phenylhydrazinylidene)pyrimidin-4-yl]amino]-3-oxidanylidene-butyl]benzoate Openeye Name: ethyl 4-[4-[[(5E)-2-amino-6-oxo-5-(phenylhydrazono)pyrimidin-4-yl]amino]-3-oxo-butyl]benzoate CAS Name: 4-[4-[[(5E)-2-amino-6-oxo-5-(phenylhydrazinylidene)-4-pyrimidinyl]amino]-3-oxobutyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(5E)-2-amino-6-oxo-5-(phenylhydrazinylidene)pyrimidin-4-yl]amino]-3-oxobutyl]benzoate Traditional Name: 4-[4-[[(5E)-2-amino-6-keto-5-(phenylhydrazono)pyrimidin-4-yl]amino]-3-keto-butyl]benzoic acid ethyl ester Formula: C23H24N6O4 MolecularWeight: 448.47446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(=O)CNC2=NC(=NC(=O)C2=NNC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC(=O)CNC\2=NC(=NC(=O)/C2=N/NC3=CC=CC=C3)N

InChI

InChI=1S/C23H24N6O4/c1-2-33-22(32)16-11-8-15(9-12-16)10-13-18(30)14-25-20-19(21(31)27-23(24)26-20)29-28-17-6-4-3-5-7-17/h3-9,11-12,28H,2,10,13-14H2,1H3,(H3,24,25,26,27,31)/b29-19+