3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21N5O4/c1-25-14-23-20-19(25)21(29)27(22(30)26(20)2)12-5-13-31-18(28)11-10-16-9-8-15-6-3-4-7-17(15)24-16/h3-4,6-11,14H,5,12-13H2,1-2H3/b11-10+