methyl 8-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: methyl 8-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: methyl 4-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)tetralin-6-carboxylate CAS Name: 8-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid methyl ester IUPAC Name: methyl 8-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: 4-(2-amino-8-bromo-6-keto-3H-purin-9-yl)tetralin-6-carboxylic acid methyl ester Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCCC2N3C4=C(C(=O)N=C(N4)N)N=C3Br)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCCC2N3C4=C(C(=O)N=C(N4)N)N=C3Br)C=C1

InChI

InChI=1S/C17H16BrN5O3/c1-26-15(25)9-6-5-8-3-2-4-11(10(8)7-9)23-13-12(20-16(23)18)14(24)22-17(19)21-13/h5-7,11H,2-4H2,1H3,(H3,19,21,22,24)