methyl 2-(4-azanyl-5,6-diphenyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4-azanyl-5,6-diphenyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(4-amino-5,6-diphenyl-furo[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-amino-5,6-diphenyl-2-furo[2,3-d]pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-amino-5,6-diphenylfuro[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5,6-diphenyl-furo[2,3-d]pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=C2C(=C(OC2=N1)C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)CSC1=NC(=C2C(=C(OC2=N1)C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H17N3O3S/c1-26-15(25)12-28-21-23-19(22)17-16(13-8-4-2-5-9-13)18(27-20(17)24-21)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,22,23,24)