5-[1-[3-bromanyl-4-(cyclopropylmethoxy)-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[1-[3-bromanyl-4-(cyclopropylmethoxy)-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine Openeye Name: 5-[1-[3-bromo-4-(cyclopropylmethoxy)-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine CAS Name: 5-[1-[3-bromo-4-(cyclopropylmethoxy)-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine IUPAC Name: 5-[1-[3-bromo-4-(cyclopropylmethoxy)-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[1-[3-bromo-4-(cyclopropylmethoxy)-1H-indol-6-yl]propyl]pyrimidin-4-yl]amine Formula: C19H22BrN5O MolecularWeight: 416.31488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C(=C1)OCC3CC3)C(=CN2)Br)C4=CN=C(N=C4N)N

Isomeric SMILES

CCC(C1=CC2=C(C(=C1)OCC3CC3)C(=CN2)Br)C4=CN=C(N=C4N)N

InChI

InChI=1S/C19H22BrN5O/c1-2-12(13-7-24-19(22)25-18(13)21)11-5-15-17(14(20)8-23-15)16(6-11)26-9-10-3-4-10/h5-8,10,12,23H,2-4,9H2,1H3,(H4,21,22,24,25)