[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl] ethanoate

Systemtic Name: [4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl] ethanoate Openeye Name: [4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl] acetate CAS Name: acetic acid [4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl] ester IUPAC Name: [4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl] acetate Traditional Name: acetic acid [4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenyl] ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C19H22N4O4/c1-4-10-22-17-15(18(25)23(11-5-2)19(22)26)20-16(21-17)13-6-8-14(9-7-13)27-12(3)24/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)