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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-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-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C=CC3=CSC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C17H18N4O4S/c1-19-11-18-15-14(19)16(23)21(17(24)20(15)2)7-3-8-25-13(22)5-4-12-6-9-26-10-12/h4-6,9-11H,3,7-8H2,1-2H3/b5-4+