4-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-6-methoxy-pyrimidin-2-amine

Systemtic Name: 4-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-6-methoxy-pyrimidin-2-amine Openeye Name: 4-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-6-methoxy-pyrimidin-2-amine CAS Name: 4-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-6-methoxy-2-pyrimidinamine IUPAC Name: 4-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-6-methoxypyrimidin-2-amine Traditional Name: [4-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-6-methoxy-pyrimidin-2-yl]amine Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C=CC=CC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

COC1=NC(=NC(=C1)/C=C/C=C/C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H15N3O3/c1-20-15-9-12(18-16(17)19-15)5-3-2-4-11-6-7-13-14(8-11)22-10-21-13/h2-9H,10H2,1H3,(H2,17,18,19)/b4-2+,5-3+