[(Z)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-(phenylcarbonylsulfanyl)pent-3-enyl] phosphate

Systemtic Name: [(Z)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-(phenylcarbonylsulfanyl)pent-3-enyl] phosphate Openeye Name: [(Z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-benzoylsulfanyl-pent-3-enyl] phosphate CAS Name: [(Z)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-(benzoylthio)pent-3-enyl] phosphate IUPAC Name: [(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-benzoylsulfanylpent-3-enyl] phosphate Traditional Name: [(Z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-(benzoylthio)pent-3-enyl] phosphate Formula: C19H21N4O6PS-2 MolecularWeight: 464.432001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)([O-])[O-])SC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOP(=O)([O-])[O-])\SC(=O)C2=CC=CC=C2)/C

InChI

InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/p-2/b17-13-