benzenesulfonic acid; 5-[(2-methoxyphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: benzenesulfonic acid; 5-[(2-methoxyphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine Openeye Name: benzenesulfonic acid; 5-[(2-methoxyphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine CAS Name: benzenesulfonic acid; 5-[(2-methoxyphenyl)methyl]-2-[2-(1-piperazinyl)ethylthio]pyrimidine-4,6-diamine IUPAC Name: benzenesulfonic acid; 5-[(2-methoxyphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-o-anisyl-2-(2-piperazinoethylthio)pyrimidin-4-yl]amine; besylic acid Formula: C24H32N6O4S2 MolecularWeight: 532.67868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=C(N=C(N=C2N)SCCN3CCNCC3)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1CC2=C(N=C(N=C2N)SCCN3CCNCC3)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H26N6OS.C6H6O3S/c1-25-15-5-3-2-4-13(15)12-14-16(19)22-18(23-17(14)20)26-11-10-24-8-6-21-7-9-24;7-10(8,9)6-4-2-1-3-5-6/h2-5,21H,6-12H2,1H3,(H4,19,20,22,23);1-5H,(H,7,8,9)