2-azanyl-2-methyl-propan-1-ol; 1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 2-azanyl-2-methyl-propan-1-ol; 1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 2-amino-2-methyl-propan-1-ol; 1,3-dimethyl-7H-purine-2,6-dione CAS Name: 2-amino-2-methyl-1-propanol; 1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 2-amino-2-methylpropan-1-ol; 1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 2-amino-2-methyl-propan-1-ol; theophylline Formula: C11H19N5O3 MolecularWeight: 269.30026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3