3,7-dimethyl-1-[(E)-prop-1-enyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[(E)-prop-1-enyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[(E)-prop-1-enyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(E)-prop-1-enyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(E)-prop-1-enyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[(E)-prop-1-enyl]xanthine Formula: C10H12N4O2 MolecularWeight: 220.22788

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Descriptors Computed from Structure

Canonical SMILES:

CC=CN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

C/C=C/N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4-6H,1-3H3/b5-4+