[5-[4-azanyl-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-[4-azanyl-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-[4-amino-5-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-[4-amino-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-oxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-[4-amino-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-[4-amino-2-keto-5-[(E)-3-keto-3-methoxy-prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)/C=C/C1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H21N3O7/c1-28-17(25)8-7-13-10-23(20(27)22-18(13)21)16-9-14(24)15(30-16)11-29-19(26)12-5-3-2-4-6-12/h2-8,10,14-16,24H,9,11H2,1H3,(H2,21,22,27)/b8-7+