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

Systemtic Name: ethyl 2-[1-methyl-2,4-bis(oxidanylidene)-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]ethanoate Openeye Name: ethyl 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]acetate CAS Name: 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]acetate Traditional Name: 2-[2,4-diketo-1-methyl-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-3-yl]acetic acid ethyl ester Formula: C25H26N5O5+ MolecularWeight: 476.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C25H25N5O5/c1-3-34-20(31)16-30-23(32)21-22(27(2)25(30)33)26-24-28(14-7-15-29(21)24)17-10-12-19(13-11-17)35-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3/p+1