S-[(E)-pent-2-en-3-yl] 2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-phosphonooxy-benzenecarbothioate

Systemtic Name: S-[(E)-pent-2-en-3-yl] 2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-phosphonooxy-benzenecarbothioate Openeye Name: S-[(E)-1-ethylprop-1-enyl] 2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-5-phosphonooxy-benzenecarbothioate CAS Name: 2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-phosphonooxybenzenecarbothioic acid S-[(E)-pent-2-en-3-yl] ester IUPAC Name: S-[(E)-pent-2-en-3-yl] 2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxybenzenecarbothioate Traditional Name: 2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-5-phosphonooxy-thiobenzoic acid S-[(E)-1-ethylprop-1-enyl] ester Formula: C19H23N4O6PS MolecularWeight: 466.447881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)SC(=O)C1=C(C=CC(=C1)OP(=O)(O)O)N(CC2=CN=C(N=C2N)C)C=O

Isomeric SMILES

CC/C(=C\C)/SC(=O)C1=C(C=CC(=C1)OP(=O)(O)O)N(CC2=CN=C(N=C2N)C)C=O

InChI

InChI=1S/C19H23N4O6PS/c1-4-15(5-2)31-19(25)16-8-14(29-30(26,27)28)6-7-17(16)23(11-24)10-13-9-21-12(3)22-18(13)20/h4,6-9,11H,5,10H2,1-3H3,(H2,20,21,22)(H2,26,27,28)/b15-4+