N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl]thio]-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thio]-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C20H25N5O5S MolecularWeight: 447.508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3CCCO3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC[C@H]3CCCO3)N

InChI

InChI=1S/C20H25N5O5S/c1-2-29-13-7-5-12(6-8-13)18(27)23-16-17(21)24-20(25-19(16)28)31-11-15(26)22-10-14-4-3-9-30-14/h5-8,14H,2-4,9-11H2,1H3,(H,22,26)(H,23,27)(H3,21,24,25,28)/t14-/m1/s1