butyl 2-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: butyl 2-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: butyl 2-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-benzamido-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(4-benzamido-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)thio]acetic acid butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC(=C2C(=C(OC2=N1)C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CSC1=NC(=C2C(=C(OC2=N1)C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-4-5-11-27-16(25)12-29-21-23-18(17-13(2)14(3)28-20(17)24-21)22-19(26)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3,(H,22,23,24,26)