[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-[(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-[(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-butylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-[(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-keto-ethyl] ester Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O6/c1-3-5-15-29(22-23(27)30(14-4-2)26(34)28-24(22)32)21(31)17-35-25(33)18-10-9-13-20(16-18)36-19-11-7-6-8-12-19/h6-13,16H,3-5,14-15,17,27H2,1-2H3,(H,28,32,34)