4-(3-azanyl-4-methoxy-phenyl)-N-(1,3-benzodioxol-5-yl)pyrimidin-2-amine

Systemtic Name: 4-(3-azanyl-4-methoxy-phenyl)-N-(1,3-benzodioxol-5-yl)pyrimidin-2-amine Openeye Name: 4-(3-amino-4-methoxy-phenyl)-N-(1,3-benzodioxol-5-yl)pyrimidin-2-amine CAS Name: 4-(3-amino-4-methoxyphenyl)-N-(1,3-benzodioxol-5-yl)-2-pyrimidinamine IUPAC Name: 4-(3-amino-4-methoxyphenyl)-N-(1,3-benzodioxol-5-yl)pyrimidin-2-amine Traditional Name: [4-(3-amino-4-methoxy-phenyl)pyrimidin-2-yl]-(1,3-benzodioxol-5-yl)amine Formula: C18H16N4O3 MolecularWeight: 336.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H16N4O3/c1-23-15-4-2-11(8-13(15)19)14-6-7-20-18(22-14)21-12-3-5-16-17(9-12)25-10-24-16/h2-9H,10,19H2,1H3,(H,20,21,22)