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

Systemtic Name: ethyl 6-[5-[(6-azanyl-7H-purin-2-yl)sulfanylmethyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[5-[(6-amino-7H-purin-2-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate CAS Name: 6-[5-[[(6-amino-7H-purin-2-yl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-[(6-amino-7H-purin-2-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate Traditional Name: 6-[5-[[(6-amino-7H-purin-2-yl)thio]methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester Formula: C17H21N7O4S MolecularWeight: 419.45814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C(=N2)N)NC=N3

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C(=N2)N)NC=N3

InChI

InChI=1S/C17H21N7O4S/c1-2-28-11(26)6-4-3-5-10(25)12-9(21-16(27)22-12)7-29-17-23-14(18)13-15(24-17)20-8-19-13/h8H,2-7H2,1H3,(H2,21,22,27)(H3,18,19,20,23,24)