1-[(E)-but-2-enyl]-8-methyl-3-propyl-7H-purine-2,6-dione

Systemtic Name: 1-[(E)-but-2-enyl]-8-methyl-3-propyl-7H-purine-2,6-dione Openeye Name: 1-[(E)-but-2-enyl]-8-methyl-3-propyl-7H-purine-2,6-dione CAS Name: 1-[(E)-but-2-enyl]-8-methyl-3-propyl-7H-purine-2,6-dione IUPAC Name: 1-[(E)-but-2-enyl]-8-methyl-3-propyl-7H-purine-2,6-dione Traditional Name: 1-[(E)-but-2-enyl]-8-methyl-3-propyl-7H-purine-2,6-quinone Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC=CC)NC(=N2)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C/C=C/C)NC(=N2)C

InChI

InChI=1S/C13H18N4O2/c1-4-6-8-17-12(18)10-11(15-9(3)14-10)16(7-5-2)13(17)19/h4,6H,5,7-8H2,1-3H3,(H,14,15)/b6-4+