cyclohexyl 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoate

Systemtic Name: cyclohexyl 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: cyclohexyl 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetic acid cyclohexyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OC4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OC4CCCCC4

InChI

InChI=1S/C22H26N4O4/c1-2-24-15-23-20-19(24)21(28)26(14-18(27)30-17-11-7-4-8-12-17)22(29)25(20)13-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3