[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-benzamidoethanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-benzamidoethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CNC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CNC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H23N5O5/c1-3-4-10-25-17-16(19(28)23-20(25)29)24(2)14(22-17)12-30-15(26)11-21-18(27)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,21,27)(H,23,28,29)