butyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H29N5O5S/c1-6-7-12-33-21(31)15-8-10-16(11-9-15)24-17(29)13-34-22-25-19-18(28(22)14(2)3)20(30)27(5)23(32)26(19)4/h8-11,14H,6-7,12-13H2,1-5H3,(H,24,29)