N4-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine; methanesulfonic acid

Systemtic Name: N4-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine; methanesulfonic acid Openeye Name: N4-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine; methanesulfonic acid CAS Name: N4-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine; methanesulfonic acid IUPAC Name: 4-N-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine; methanesulfonic acid Traditional Name: (7-aminopyrido[4,3-d]pyrimidin-4-yl)-(3-bromophenyl)amine; mesylic acid Formula: C14H14BrN5O3S MolecularWeight: 412.26166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC(=C1)Br)NC2=NC=NC3=CC(=NC=C32)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC(=C1)Br)NC2=NC=NC3=CC(=NC=C32)N

InChI

InChI=1S/C13H10BrN5.CH4O3S/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13;1-5(2,3)4/h1-7H,(H2,15,16)(H,17,18,19);1H3,(H,2,3,4)