4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-thiolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-(3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl)pyrimidin-2-one Formula: C18H26N6O8S2 MolecularWeight: 518.56444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(S2)CO)O)O.C1=CN(C(=O)N=C1N)C2C(C(C(S2)CO)O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(S2)CO)O)O.C1=CN(C(=O)N=C1N)C2C(C(C(S2)CO)O)O

InChI

InChI=1S/2C9H13N3O4S/c2*10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h2*1-2,4,6-8,13-15H,3H2,(H2,10,11,16)