4-(2-butylpiperazin-1-yl)-6-chloranyl-N-methyl-5-methylsulfanyl-N-(phenylmethyl)pyrimidin-2-amine hydrochloride

Systemtic Name: 4-(2-butylpiperazin-1-yl)-6-chloranyl-N-methyl-5-methylsulfanyl-N-(phenylmethyl)pyrimidin-2-amine hydrochloride Openeye Name: N-benzyl-4-(2-butylpiperazin-1-yl)-6-chloro-N-methyl-5-methylsulfanyl-pyrimidin-2-amine hydrochloride CAS Name: 4-(2-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-2-pyrimidinamine hydrochloride IUPAC Name: N-benzyl-4-(2-butylpiperazin-1-yl)-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine hydrochloride Traditional Name: benzyl-[4-(2-butylpiperazino)-6-chloro-5-(methylthio)pyrimidin-2-yl]-methyl-amine hydrochloride Formula: C21H31Cl2N5S MolecularWeight: 456.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCCN1C2=C(C(=NC(=N2)N(C)CC3=CC=CC=C3)Cl)SC.Cl

Isomeric SMILES

CCCCC1CNCCN1C2=C(C(=NC(=N2)N(C)CC3=CC=CC=C3)Cl)SC.Cl

InChI

InChI=1S/C21H30ClN5S.ClH/c1-4-5-11-17-14-23-12-13-27(17)20-18(28-3)19(22)24-21(25-20)26(2)15-16-9-7-6-8-10-16;/h6-10,17,23H,4-5,11-15H2,1-3H3;1H