ethyl 2-[(7R)-9-(4-bromophenyl)-1,7-dimethyl-2,4-bis(oxidanylidene)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[(7R)-9-(4-bromophenyl)-1,7-dimethyl-2,4-bis(oxidanylidene)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]ethanoate Openeye Name: ethyl 2-[(7R)-9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]acetate CAS Name: 2-[(7R)-9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7R)-9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]acetate Traditional Name: 2-[(7R)-9-(4-bromophenyl)-2,4-diketo-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]acetic acid ethyl ester Formula: C20H23BrN5O4+ MolecularWeight: 477.33172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(NC3=[N+]2CC(CN3C4=CC=C(C=C4)Br)C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(NC3=[N+]2C[C@@H](CN3C4=CC=C(C=C4)Br)C)N(C1=O)C

InChI

InChI=1S/C20H22BrN5O4/c1-4-30-15(27)11-26-18(28)16-17(23(3)20(26)29)22-19-24(9-12(2)10-25(16)19)14-7-5-13(21)6-8-14/h5-8,12H,4,9-11H2,1-3H3/p+1/t12-/m1/s1