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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl (E)-3-azanylbut-2-enoate Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl ester IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N

Isomeric SMILES

C/C(=C\C(=O)OCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)/N

InChI

InChI=1S/C13H17N5O4/c1-8(14)6-9(19)22-5-4-18-12(20)10-11(15-7-16(10)2)17(3)13(18)21/h6-7H,4-5,14H2,1-3H3/b8-6+