ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(phenethylamino)purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(phenethylamino)purin-7-yl]ethanoate Openeye Name: ethyl 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]acetate CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]acetate Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(phenethylamino)purin-7-yl]acetic acid ethyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H23N5O4/c1-4-28-14(25)12-24-15-16(22(2)19(27)23(3)17(15)26)21-18(24)20-11-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,20,21)