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

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate Openeye Name: [2-[(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic 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] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [2-[(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-keto-ethyl] ester Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C(C)OC2=CC=CC=C2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)[C@H](C)OC2=CC=CC=C2

InChI

InChI=1S/C22H30N4O6/c1-4-6-13-25(18-19(23)26(12-5-2)22(30)24-20(18)28)17(27)14-31-21(29)15(3)32-16-10-8-7-9-11-16/h7-11,15H,4-6,12-14,23H2,1-3H3,(H,24,28,30)/t15-/m0/s1