[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxo-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(2-methoxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C23H28N6O6 MolecularWeight: 484.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)C2=C(NN=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)C2=C(NN=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C23H28N6O6/c1-3-4-10-29-20(24)19(21(31)26-23(29)33)28(11-12-34-2)17(30)14-35-22(32)16-13-25-27-18(16)15-8-6-5-7-9-15/h5-9,13H,3-4,10-12,14,24H2,1-2H3,(H,25,27)(H,26,31,33)