2,6-bis(bromanyl)-N4-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)benzene-1,4-diamine

Systemtic Name: 2,6-bis(bromanyl)-N4-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)benzene-1,4-diamine Openeye Name: 2,6-dibromo-N4-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)benzene-1,4-diamine CAS Name: 2,6-dibromo-N4-[6-(methylthio)-4-pyrimido[5,4-d]pyrimidinyl]benzene-1,4-diamine IUPAC Name: 2,6-dibromo-4-N-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)benzene-1,4-diamine Traditional Name: (4-amino-3,5-dibromo-phenyl)-[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C13H10Br2N6S MolecularWeight: 442.1317

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C(=C3)Br)N)Br

Isomeric SMILES

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C(=C3)Br)N)Br

InChI

InChI=1S/C13H10Br2N6S/c1-22-13-17-4-9-11(21-13)12(19-5-18-9)20-6-2-7(14)10(16)8(15)3-6/h2-5H,16H2,1H3,(H,18,19,20)