N-(2-azanylethyl)-2-[4-(6-oxidanylidene-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]ethanamide

Systemtic Name: N-(2-azanylethyl)-2-[4-(6-oxidanylidene-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]ethanamide Openeye Name: N-(2-aminoethyl)-2-[4-(6-oxo-1,3-dipropyl-2-thioxo-7H-purin-8-yl)phenoxy]acetamide CAS Name: N-(2-aminoethyl)-2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetamide IUPAC Name: N-(2-aminoethyl)-2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetamide Traditional Name: N-(2-aminoethyl)-2-[4-(6-keto-1,3-dipropyl-2-thioxo-7H-purin-8-yl)phenoxy]acetamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN

InChI

InChI=1S/C21H28N6O3S/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)31)24-18(25-19)14-5-7-15(8-6-14)30-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)