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

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-2-keto-ethyl] ester Formula: C24H34N4O5S MolecularWeight: 490.61556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C24H34N4O5S/c1-3-5-10-15-27(21-22(25)28(14-6-4-2)24(32)26-23(21)31)19(29)17-33-20(30)13-16-34-18-11-8-7-9-12-18/h7-9,11-12H,3-6,10,13-17,25H2,1-2H3,(H,26,31,32)