2-[2-azanyl-5-[3-[ethanoyl(phenyl)amino]propyl]-6-methyl-pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-azanyl-5-[3-[ethanoyl(phenyl)amino]propyl]-6-methyl-pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[5-[3-(N-acetylanilino)propyl]-2-amino-6-methyl-pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[5-[3-(N-acetylanilino)propyl]-2-amino-6-methyl-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-[3-(N-acetylanilino)propyl]-2-amino-6-methylpyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[5-[3-(N-acetylanilino)propyl]-2-amino-6-methyl-pyrimidin-4-yl]thio]acetic acid Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)SCC(=O)O)CCCN(C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)N)SCC(=O)O)CCCN(C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C18H22N4O3S/c1-12-15(17(21-18(19)20-12)26-11-16(24)25)9-6-10-22(13(2)23)14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H,24,25)(H2,19,20,21)