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

Systemtic Name: 2-azanylpropan-1-ol; 1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 2-aminopropan-1-ol; 1,3-dimethyl-7H-purine-2,6-dione CAS Name: 2-amino-1-propanol; 1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 2-aminopropan-1-ol; 1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 2-aminopropan-1-ol; theophylline Formula: C10H17N5O3 MolecularWeight: 255.27368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8N4O2.C3H9NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(4)2-5/h3H,1-2H3,(H,8,9);3,5H,2,4H2,1H3