(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-(phenylcarbonyloxy)pent-2-ene-3-sulfinic acid

Systemtic Name: (E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-(phenylcarbonyloxy)pent-2-ene-3-sulfinic acid Openeye Name: (E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-5-benzoyloxy-pent-2-ene-3-sulfinic acid CAS Name: (E)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-benzoyloxy-2-pentene-3-sulfinic acid IUPAC Name: (E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-ene-3-sulfinic acid Traditional Name: (E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-5-benzoyloxy-pent-2-ene-3-sulfinic acid Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)S(=O)O)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCOC(=O)C2=CC=CC=C2)/S(=O)O)/C

InChI

InChI=1S/C19H22N4O5S/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(29(26)27)8-9-28-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,26,27)(H2,20,21,22)/b17-13+