(2S)-2-[[2-[(2-methylphenyl)amino]-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]-2-phenylazanyl-ethanoic acid

Systemtic Name: (2S)-2-[[2-[(2-methylphenyl)amino]-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]-2-phenylazanyl-ethanoic acid Openeye Name: (2S)-2-anilino-2-[[2-(2-methylanilino)-6-oxo-1H-pyrimidin-5-yl]carbamoylamino]acetic acid CAS Name: (2S)-2-anilino-2-[[[[2-(2-methylanilino)-6-oxo-1H-pyrimidin-5-yl]amino]-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-anilino-2-[[2-(2-methylanilino)-6-oxo-1H-pyrimidin-5-yl]carbamoylamino]acetic acid Traditional Name: (2S)-2-anilino-2-[[6-keto-2-(o-toluidino)-1H-pyrimidin-5-yl]carbamoylamino]acetic acid Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=C(C(=O)N2)NC(=O)NC(C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=C(C(=O)N2)NC(=O)N[C@@H](C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N6O4/c1-12-7-5-6-10-14(12)23-19-21-11-15(17(27)26-19)24-20(30)25-16(18(28)29)22-13-8-3-2-4-9-13/h2-11,16,22H,1H3,(H,28,29)(H2,24,25,30)(H2,21,23,26,27)/t16-/m0/s1