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

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-[(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-keto-ethyl] ester Formula: C25H36N4O6 MolecularWeight: 488.57654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(CCCC)C2=C(N(C(=O)NC2=O)CCC)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(CCCC)C2=C(N(C(=O)NC2=O)CCC)N

InChI

InChI=1S/C25H36N4O6/c1-4-7-9-16-34-19-12-10-18(11-13-19)24(32)35-17-20(30)28(15-8-5-2)21-22(26)29(14-6-3)25(33)27-23(21)31/h10-13H,4-9,14-17,26H2,1-3H3,(H,27,31,33)