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1,3-dimethyl-7H-purine-2,6-dione; ethene-1,1-diamine

1,3-dimethyl-7H-purine-2,6-dione; ethene-1,1-diamine

Systemtic Name:1,3-dimethyl-7H-purine-2,6-dione; ethene-1,1-diamine
Openeye Name:1,3-dimethyl-7H-purine-2,6-dione; ethene-1,1-diamine
CAS Name:1,3-dimethyl-7H-purine-2,6-dione; ethene-1,1-diamine
IUPAC Name:1,3-dimethyl-7H-purine-2,6-dione; ethene-1,1-diamine
Traditional Name:1-aminovinylamine; theophylline
Formula: C9H14N6O2
MolecularWeight: 238.24646
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C=C(N)N


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C=C(N)N


InChI

InChI=1S/C7H8N4O2.C2H6N2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2(3)4/h3H,1-2H3,(H,8,9);1,3-4H2


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