tert-butyl 2-[5-methyl-3-(3-methylbutyl)-4-oxidanylidene-7-phenyl-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[5-methyl-3-(3-methylbutyl)-4-oxidanylidene-7-phenyl-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-(3-isopentyl-5-methyl-4-oxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-2-pyrrolo[3,2-d]pyrimidinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isoamyl-4-keto-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetic acid tert-butyl ester Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C24H31N3O3S/c1-16(2)12-13-27-22(29)21-20(18(14-26(21)6)17-10-8-7-9-11-17)25-23(27)31-15-19(28)30-24(3,4)5/h7-11,14,16H,12-13,15H2,1-6H3