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

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

Systemtic Name:2-azanylethanol; 1,3-dimethyl-7H-purine-2,6-dione
Openeye Name:2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione
CAS Name:2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name:2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione
Traditional Name:2-aminoethanol; theophylline
Formula: C9H15N5O3
MolecularWeight: 241.2471
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C7H8N4O2.C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);4H,1-3H2


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