ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate

Systemtic Name: ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate Openeye Name: ethyl 6-oxo-6-[2-oxo-5-[(2-oxo-3,7-dihydropurin-6-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate CAS Name: 6-oxo-6-[2-oxo-5-[[(2-oxo-3,7-dihydropurin-6-yl)thio]methyl]-1,3-dihydroimidazol-4-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-oxo-6-[2-oxo-5-[(2-oxo-3,7-dihydropurin-6-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate Traditional Name: 6-keto-6-[2-keto-5-[[(2-keto-3,7-dihydropurin-6-yl)thio]methyl]-4-imidazolin-4-yl]hexanoic acid ethyl ester Formula: C17H20N6O5S MolecularWeight: 420.4429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=O)NC3=C2NC=N3

InChI

InChI=1S/C17H20N6O5S/c1-2-28-11(25)6-4-3-5-10(24)12-9(20-16(26)21-12)7-29-15-13-14(19-8-18-13)22-17(27)23-15/h8H,2-7H2,1H3,(H2,20,21,26)(H2,18,19,22,23,27)