[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O6/c1-4-5-10-25-19-18(20(28)23-21(25)29)24(2)16(22-19)12-31-17(27)9-7-13-6-8-14(26)15(11-13)30-3/h6-9,11,26H,4-5,10,12H2,1-3H3,(H,23,28,29)/b9-7+