[[4-[1,3-dibutyl-2,6-bis(oxidanylidene)purin-7-yl]sulfonylphenyl]-ethanoyl-amino] ethanoate

Systemtic Name: [[4-[1,3-dibutyl-2,6-bis(oxidanylidene)purin-7-yl]sulfonylphenyl]-ethanoyl-amino] ethanoate Openeye Name: [N-acetyl-4-(1,3-dibutyl-2,6-dioxo-purin-7-yl)sulfonyl-anilino] acetate CAS Name: acetic acid [N-acetyl-4-[(1,3-dibutyl-2,6-dioxo-7-purinyl)sulfonyl]anilino] ester IUPAC Name: [N-acetyl-4-(1,3-dibutyl-2,6-dioxopurin-7-yl)sulfonylanilino] acetate Traditional Name: acetic acid [N-acetyl-4-(1,3-dibutyl-2,6-diketo-purin-7-yl)sulfonyl-anilino] ester Formula: C23H29N5O7S MolecularWeight: 519.57066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)N(C(=O)C)OC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)N(C(=O)C)OC(=O)C

InChI

InChI=1S/C23H29N5O7S/c1-5-7-13-25-21-20(22(31)26(23(25)32)14-8-6-2)27(15-24-21)36(33,34)19-11-9-18(10-12-19)28(16(3)29)35-17(4)30/h9-12,15H,5-8,13-14H2,1-4H3