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

Systemtic Name: 4-(4-butylpiperazin-1-yl)-6-chloranyl-N-methyl-5-methylsulfanyl-N-(phenylmethyl)pyrimidin-2-amine Openeye Name: N-benzyl-4-(4-butylpiperazin-1-yl)-6-chloro-N-methyl-5-methylsulfanyl-pyrimidin-2-amine CAS Name: 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-2-pyrimidinamine IUPAC Name: N-benzyl-4-(4-butylpiperazin-1-yl)-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine Traditional Name: benzyl-[4-(4-butylpiperazino)-6-chloro-5-(methylthio)pyrimidin-2-yl]-methyl-amine Formula: C21H30ClN5S MolecularWeight: 420.0144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C(=NC(=N2)N(C)CC3=CC=CC=C3)Cl)SC

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C(=NC(=N2)N(C)CC3=CC=CC=C3)Cl)SC

InChI

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