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: C11H22N6O4 MolecularWeight: 302.33018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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