[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(aminocarbonylamino)benzoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(aminocarbonylamino)benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)NC(=O)N)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)NC(=O)N)CC

InChI

InChI=1S/C20H24N6O5/c1-3-5-9-26-16-15(17(27)24-20(26)30)25(4-2)14(23-16)11-31-18(28)12-7-6-8-13(10-12)22-19(21)29/h6-8,10H,3-5,9,11H2,1-2H3,(H3,21,22,29)(H,24,27,30)