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

Systemtic Name: [(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-phenacyl-pent-3-enyl] phosphate Openeye Name: [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-phenacyl-pent-3-enyl] phosphate CAS Name: [(E)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-phenacylpent-3-enyl] phosphate IUPAC Name: [(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-phenacylpent-3-enyl] phosphate Traditional Name: [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-phenacyl-pent-3-enyl] phosphate Formula: C20H23N4O6P-2 MolecularWeight: 446.393581

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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-])CC(=O)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N4O6P/c1-14(24(13-25)12-18-11-22-15(2)23-20(18)21)17(8-9-30-31(27,28)29)10-19(26)16-6-4-3-5-7-16/h3-7,11,13H,8-10,12H2,1-2H3,(H2,21,22,23)(H2,27,28,29)/p-2/b17-14+