methyl (E)-3-[1,3-dibutyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[1,3-dibutyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]prop-2-enoate Openeye Name: methyl (E)-3-(1,3-dibutyl-7-methyl-2,6-dioxo-purin-8-yl)prop-2-enoate CAS Name: (E)-3-(1,3-dibutyl-7-methyl-2,6-dioxo-8-purinyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1,3-dibutyl-7-methyl-2,6-dioxopurin-8-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-dibutyl-2,6-diketo-7-methyl-purin-8-yl)acrylic acid methyl ester Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)C=CC(=O)OC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)/C=C/C(=O)OC)C

InChI

InChI=1S/C18H26N4O4/c1-5-7-11-21-16-15(17(24)22(18(21)25)12-8-6-2)20(3)13(19-16)9-10-14(23)26-4/h9-10H,5-8,11-12H2,1-4H3/b10-9+