6-[1,2-bis(bromanyl)-2-phenyl-ethyl]-4-pentoxy-pteridin-2-amine

Systemtic Name: 6-[1,2-bis(bromanyl)-2-phenyl-ethyl]-4-pentoxy-pteridin-2-amine Openeye Name: 6-(1,2-dibromo-2-phenyl-ethyl)-4-pentoxy-pteridin-2-amine CAS Name: 6-(1,2-dibromo-2-phenylethyl)-4-pentoxy-2-pteridinamine IUPAC Name: 6-(1,2-dibromo-2-phenylethyl)-4-pentoxypteridin-2-amine Traditional Name: [4-amoxy-6-(1,2-dibromo-2-phenyl-ethyl)pteridin-2-yl]amine Formula: C19H21Br2N5O MolecularWeight: 495.21094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC(=NC2=NC=C(N=C21)C(C(C3=CC=CC=C3)Br)Br)N

Isomeric SMILES

CCCCCOC1=NC(=NC2=NC=C(N=C21)C(C(C3=CC=CC=C3)Br)Br)N

InChI

InChI=1S/C19H21Br2N5O/c1-2-3-7-10-27-18-16-17(25-19(22)26-18)23-11-13(24-16)15(21)14(20)12-8-5-4-6-9-12/h4-6,8-9,11,14-15H,2-3,7,10H2,1H3,(H2,22,23,25,26)