4-azanyl-1-[(2R,4S,5R)-4-bis(oxidanyl)phosphinothioyloxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynyl-pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2R,4S,5R)-4-bis(oxidanyl)phosphinothioyloxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynyl-pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,4S,5R)-4-dihydroxyphosphinothioyloxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-1-ynyl-pyrimidin-2-one CAS Name: 4-amino-1-[(2R,4S,5R)-4-dihydroxyphosphinothioyloxy-5-(hydroxymethyl)-2-oxolanyl]-5-prop-1-ynyl-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-dihydroxyphosphinothioyloxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidin-2-one Traditional Name: 4-amino-1-[(2R,4S,5R)-4-dihydroxythiophosphoryloxy-5-methylol-tetrahydrofuran-2-yl]-5-prop-1-ynyl-pyrimidin-2-one Formula: C12H16N3O6PS MolecularWeight: 361.310701

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)OP(=S)(O)O

Isomeric SMILES

CC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)OP(=S)(O)O

InChI

InChI=1S/C12H16N3O6PS/c1-2-3-7-5-15(12(17)14-11(7)13)10-4-8(9(6-16)20-10)21-22(18,19)23/h5,8-10,16H,4,6H2,1H3,(H2,13,14,17)(H2,18,19,23)/t8-,9+,10+/m0/s1