2-(2-piperazin-1-ylethylsulfanyl)-5-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine

Systemtic Name: 2-(2-piperazin-1-ylethylsulfanyl)-5-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine Openeye Name: 5-[(4-isopropylphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine CAS Name: 2-[2-(1-piperazinyl)ethylthio]-5-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine IUPAC Name: 2-(2-piperazin-1-ylethylsulfanyl)-5-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-isopropylbenzyl)-2-(2-piperazinoethylthio)pyrimidin-4-yl]amine Formula: C20H30N6S MolecularWeight: 386.5574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2=C(N=C(N=C2N)SCCN3CCNCC3)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2=C(N=C(N=C2N)SCCN3CCNCC3)N

InChI

InChI=1S/C20H30N6S/c1-14(2)16-5-3-15(4-6-16)13-17-18(21)24-20(25-19(17)22)27-12-11-26-9-7-23-8-10-26/h3-6,14,23H,7-13H2,1-2H3,(H4,21,22,24,25)