(phenylmethyl) N-[4-[2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]butyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]butyl]carbamate Openeye Name: benzyl N-[4-(2,6-dioxo-3-propyl-purin-7-yl)butyl]carbamate CAS Name: N-[4-(2,6-dioxo-3-propyl-7-purinyl)butyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-(2,6-dioxo-3-propylpurin-7-yl)butyl]carbamate Traditional Name: N-[4-(2,6-diketo-3-propyl-purin-7-yl)butyl]carbamic acid benzyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4/c1-2-11-25-17-16(18(26)23-19(25)27)24(14-22-17)12-7-6-10-21-20(28)29-13-15-8-4-3-5-9-15/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,21,28)(H,23,26,27)