5-(1,3-benzodioxol-5-yl)-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-(1,3-benzodioxol-5-yl)-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-(1,3-benzodioxol-5-yl)-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(1,3-benzodioxol-5-yl)-6-methyl-pyrimidin-4-yl]amine Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H12N4O2/c1-6-10(11(13)16-12(14)15-6)7-2-3-8-9(4-7)18-5-17-8/h2-4H,5H2,1H3,(H4,13,14,15,16)