methyl (E)-2-methyl-5-(7H-purin-6-yl)pent-2-en-4-ynoate

Systemtic Name: methyl (E)-2-methyl-5-(7H-purin-6-yl)pent-2-en-4-ynoate Openeye Name: methyl (E)-2-methyl-5-(7H-purin-6-yl)pent-2-en-4-ynoate CAS Name: (E)-2-methyl-5-(7H-purin-6-yl)pent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-2-methyl-5-(7H-purin-6-yl)pent-2-en-4-ynoate Traditional Name: (E)-2-methyl-5-(7H-purin-6-yl)pent-2-en-4-ynoic acid methyl ester Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#CC1=C2C(=NC=N1)N=CN2)C(=O)OC

Isomeric SMILES

C/C(=C\C#CC1=C2C(=NC=N1)N=CN2)/C(=O)OC

InChI

InChI=1S/C12H10N4O2/c1-8(12(17)18-2)4-3-5-9-10-11(15-6-13-9)16-7-14-10/h4,6-7H,1-2H3,(H,13,14,15,16)/b8-4+