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

Systemtic Name: N-[2-(methylamino)ethyl]-2-[4-(6-oxidanylidene-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]ethanamide Openeye Name: N-[2-(methylamino)ethyl]-2-[4-(6-oxo-1,3-dipropyl-2-thioxo-7H-purin-8-yl)phenoxy]acetamide CAS Name: N-[2-(methylamino)ethyl]-2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetamide IUPAC Name: N-[2-(methylamino)ethyl]-2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetamide Traditional Name: 2-[4-(6-keto-1,3-dipropyl-2-thioxo-7H-purin-8-yl)phenoxy]-N-[2-(methylamino)ethyl]acetamide Formula: C22H30N6O3S MolecularWeight: 458.577

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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)NCCNC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3S/c1-4-12-27-20-18(21(30)28(13-5-2)22(27)32)25-19(26-20)15-6-8-16(9-7-15)31-14-17(29)24-11-10-23-3/h6-9,23H,4-5,10-14H2,1-3H3,(H,24,29)(H,25,26)