5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidin-4-amine

Systemtic Name: 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidin-4-amine Openeye Name: 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidin-4-amine CAS Name: 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenyl-4-pyrimidinamine IUPAC Name: 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine Traditional Name: [4-amino-6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidin-5-yl]methylamine Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)C4=CC=CC=C4)N)CN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)C4=CC=CC=C4)N)CN

InChI

InChI=1S/C18H16N4O2/c19-9-13-16(12-6-7-14-15(8-12)24-10-23-14)21-18(22-17(13)20)11-4-2-1-3-5-11/h1-8H,9-10,19H2,(H2,20,21,22)