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

Systemtic Name: (phenylmethyl) N-[2-[2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]ethyl]carbamate Openeye Name: benzyl N-[2-(2,6-dioxo-3-propyl-purin-7-yl)ethyl]carbamate CAS Name: N-[2-(2,6-dioxo-3-propyl-7-purinyl)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(2,6-dioxo-3-propylpurin-7-yl)ethyl]carbamate Traditional Name: N-[2-(2,6-diketo-3-propyl-purin-7-yl)ethyl]carbamic acid benzyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4/c1-2-9-23-15-14(16(24)21-17(23)25)22(12-20-15)10-8-19-18(26)27-11-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,19,26)(H,21,24,25)