2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid CAS Name: 2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]acetic acid IUPAC Name: 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid Traditional Name: 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetic acid Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)O

InChI

InChI=1S/C20H16N2O3S/c1-12-6-5-9-14-10-15-19(25-17(12)14)21-18(13-7-3-2-4-8-13)22-20(15)26-11-16(23)24/h2-9H,10-11H2,1H3,(H,23,24)