3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-pentoxybenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-pentoxybenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C22H28N4O5/c1-4-5-6-13-30-17-10-8-16(9-11-17)21(28)31-14-7-12-26-20(27)18-19(23-15-24(18)2)25(3)22(26)29/h8-11,15H,4-7,12-14H2,1-3H3