5-[(4-dimethylaminophenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: 5-[(4-dimethylaminophenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine Openeye Name: 5-[(4-dimethylaminophenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine CAS Name: 5-[(4-dimethylaminophenyl)methyl]-2-[3-(1-piperazinyl)propylthio]pyrimidine-4,6-diamine IUPAC Name: 5-[(4-dimethylaminophenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [4-[[4,6-diamino-2-(3-piperazinopropylthio)pyrimidin-5-yl]methyl]phenyl]-dimethyl-amine Formula: C20H31N7S MolecularWeight: 401.57204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC2=C(N=C(N=C2N)SCCCN3CCNCC3)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC2=C(N=C(N=C2N)SCCCN3CCNCC3)N

InChI

InChI=1S/C20H31N7S/c1-26(2)16-6-4-15(5-7-16)14-17-18(21)24-20(25-19(17)22)28-13-3-10-27-11-8-23-9-12-27/h4-7,23H,3,8-14H2,1-2H3,(H4,21,22,24,25)