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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (E)-but-2-enoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl (E)-but-2-enoate CAS Name: (E)-2-butenoic 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)-but-2-enoate Traditional Name: (E)-but-2-enoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

C/C=C/C(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C14H18N4O4/c1-4-6-10(19)22-8-5-7-18-13(20)11-12(15-9-16(11)2)17(3)14(18)21/h4,6,9H,5,7-8H2,1-3H3/b6-4+