bis[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] butanedioate

Systemtic Name: bis[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] butanedioate Openeye Name: bis[[5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] butanedioate CAS Name: butanedioic acid bis[[5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl] ester IUPAC Name: bis[[5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] butanedioate Traditional Name: succinic acid bis[[5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] ester Formula: C20H24N6O8S2 MolecularWeight: 540.56996

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)COC(=O)CCC(=O)OCC2OC(CS2)N3C=CC(=NC3=O)N)N4C=CC(=NC4=O)N

Isomeric SMILES

C1C(OC(S1)COC(=O)CCC(=O)OCC2OC(CS2)N3C=CC(=NC3=O)N)N4C=CC(=NC4=O)N

InChI

InChI=1S/C20H24N6O8S2/c21-11-3-5-25(19(29)23-11)13-9-35-17(33-13)7-31-15(27)1-2-16(28)32-8-18-34-14(10-36-18)26-6-4-12(22)24-20(26)30/h3-6,13-14,17-18H,1-2,7-10H2,(H2,21,23,29)(H2,22,24,30)