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

Systemtic Name: (phenylmethyl) N-[3-[2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]propyl]carbamate Openeye Name: benzyl N-[3-(2,6-dioxo-3-propyl-purin-7-yl)propyl]carbamate CAS Name: N-[3-(2,6-dioxo-3-propyl-7-purinyl)propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(2,6-dioxo-3-propylpurin-7-yl)propyl]carbamate Traditional Name: N-[3-(2,6-diketo-3-propyl-purin-7-yl)propyl]carbamic acid benzyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4/c1-2-10-24-16-15(17(25)22-18(24)26)23(13-21-16)11-6-9-20-19(27)28-12-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,20,27)(H,22,25,26)