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

Systemtic Name: propan-2-yl 2-[5-methyl-3-(3-methylbutyl)-4-oxidanylidene-7-phenyl-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-15(2)11-12-26-22(28)21-20(24-23(26)30-14-19(27)29-16(3)4)18(13-25(21)5)17-9-7-6-8-10-17/h6-10,13,15-16H,11-12,14H2,1-5H3