[2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=C(N(C(=O)NC1=O)C)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=C(N(C(=O)NC1=O)C)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O6/c1-9(19-14(23)10-6-4-3-5-7-10)16(25)27-8-11(22)12-13(18)21(2)17(26)20-15(12)24/h3-7,9H,8,18H2,1-2H3,(H,19,23)(H,20,24,26)/t9-/m0/s1