[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H24N6O5S MolecularWeight: 484.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C

InChI

InChI=1S/C22H24N6O5S/c1-13-9-14(2)25-21(24-13)34-12-17(30)33-11-16(29)27(3)18-19(23)28(22(32)26-20(18)31)10-15-7-5-4-6-8-15/h4-9H,10-12,23H2,1-3H3,(H,26,31,32)